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CAS 1158758-98-5 tert-butyl 4-(aMinoMethyl)-4-ethylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1158758-98-5

tert-butyl 4-(aMinoMethyl)-4-ethylpiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-015655
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1158758-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1158758-98-5 / tert-butyl 4-(aminomethyl)-4-ethylpiperidine-1-carboxylate

1-BOC-4-(AMINOMETHYL)-4-ETHYLPIPERIDINE | TERT-BUTYL 4-(AMINOMETHYL)-4-ETHYLPIPERIDINE-1-CARBOXYLATE | MFCD12408569

Standard CAS: 1158758-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1158758-98-5
Multi CAS
No
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CCC1(CCN(CC1)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C13H26N2O2/c1-5-13(10-14)6-8-15(9-7-13)11(16)17-12(2,3)4/h5-10,14H2,1-4H3
InChIKey
LTCVVNLACZFQSW-UHFFFAOYSA-N
Synonyms
1-BOC-4-(AMINOMETHYL)-4-ETHYLPIPERIDINE TERT-BUTYL 4-(AMINOMETHYL)-4-ETHYLPIPERIDINE-1-CARBOXYLATE MFCD12408569 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-ethyl-, 1,1-dimethylethyl ester SCHEMBL23033334

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.82
TPSA
55.56

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.7
Consensus LogP
2.05
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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