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CAS 158144-79-7 1-N-BOC-4-PHENYLPIPERIDINE-4-CARBONITRILE molecular structure lightbox
CAS RN: 158144-79-7

1-N-BOC-4-PHENYLPIPERIDINE-4-CARBONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260507 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-066695
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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: ＞97%
  • 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 158144-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

158144-79-7 / tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate

Standard CAS: 158144-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158144-79-7
Multi CAS
No
Molecular Formula
C17H22N2O2
Molecular Weight
286.370000
Exact Mass
286.168128
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChIKey
QZJPNISMAWIZOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
80.77
TPSA
53.33

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
2.8
Consensus LogP
3.12
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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