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CAS 2227206-46-2 tert-butyl 4-[(azetidin-3-yl)(hydroxy)methyl]piperidine-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 2227206-46-2

tert-butyl 4-[(azetidin-3-yl)(hydroxy)methyl]piperidine-1-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-107488
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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 2227206-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2227206-46-2 / tert-butyl 4-[azetidin-3-yl(hydroxy)methyl]piperidine-1-carboxylate;hydrochloride

Standard CAS: 2227206-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227206-46-2
Multi CAS
No
Molecular Formula
C14H27ClN2O3
Molecular Weight
306.830000
Exact Mass
306.171020
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C2CNC2)O.Cl
InChI
InChI=1S/C14H26N2O3.ClH/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12(17)11-8-15-9-11;/h10-12,15,17H,4-9H2,1-3H3;1H
InChIKey
LMGUBJAHYNERHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.15
TPSA
61.8

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-3.43

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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