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CAS 1093396-57-6 1-Boc-4-isopropyl-4-piperidinecarboxylic Acid molecular structure lightbox
CAS RN: 1093396-57-6

1-Boc-4-isopropyl-4-piperidinecarboxylic Acid

  • Product code: SSC-010602
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1093396-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 3 In Stock Shenzhen Inquiry
0.25g ≥97% 3 In Stock Shenzhen Inquiry
1g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Hong Kong Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
25g ≥97% 2 In Stock Hong Kong Inquiry

1093396-57-6 / 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid

1-BOC-4-ISOPROPYL-4-PIPERIDINECARBOXYLIC ACID | 1-(tert-Butoxycarbonyl)-4-isopropylpiperidine-4-carboxylic acid | MFCD02179129

Standard CAS: 1093396-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1093396-57-6
Multi CAS
Yes
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-10(2)14(11(16)17)6-8-15(9-7-14)12(18)19-13(3,4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKey
HTQMWUMCFDOCLF-UHFFFAOYSA-N
Synonyms
1-BOC-4-ISOPROPYL-4-PIPERIDINECARBOXYLIC ACID 1-(tert-Butoxycarbonyl)-4-isopropylpiperidine-4-carboxylic acid MFCD02179129 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid 1-tert-butoxycarbonyl-4-isopropyl-piperidine-4-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.95
TPSA
66.84

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.3
Consensus LogP
2.49
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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