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CAS 213923-81-0 1-N-BOC-3-HYDROXY-3-PHENYLPIPERIDINE molecular structure lightbox
CAS RN: 213923-81-0

1-N-BOC-3-HYDROXY-3-PHENYLPIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-102559
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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 213923-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

213923-81-0 / tert-butyl 3-hydroxy-3-phenylpiperidine-1-carboxylate

Standard CAS: 213923-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213923-81-0
Multi CAS
No
Molecular Formula
C16H23NO3
Molecular Weight
277.360000
Exact Mass
277.167794
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H23NO3/c1-15(2,3)20-14(18)17-11-7-10-16(19,12-17)13-8-5-4-6-9-13/h4-6,8-9,19H,7,10-12H2,1-3H3
InChIKey
OAQOKUKHQIGNCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.38
TPSA
49.77

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.3
Consensus LogP
2.59
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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