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CAS 203662-02-6 3-(piperidin-4-yl)-2,2-dimethylpropanol molecular structure lightbox
CAS RN: 203662-02-6

3-(piperidin-4-yl)-2,2-dimethylpropanol

  • Product code: SSC-095881
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 203662-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

203662-02-6 / 2,2-dimethyl-3-piperidin-4-ylpropan-1-ol

Standard CAS: 203662-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203662-02-6
Multi CAS
No
Molecular Formula
C10H21NO
Molecular Weight
171.280000
Exact Mass
171.162314
SMILES
CC(C)(CC1CCNCC1)CO
InChI
InChI=1S/C10H21NO/c1-10(2,8-12)7-9-3-5-11-6-4-9/h9,11-12H,3-8H2,1-2H3
InChIKey
AHTLZJHKOXCHAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.08
TPSA
32.26

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

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

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