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CAS 21168-73-0 1-(2-Hydroxyethyl)piperidine-4-carbonitrile molecular structure lightbox
CAS RN: 21168-73-0

1-(2-Hydroxyethyl)piperidine-4-carbonitrile

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260424 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20260110 25g In stock Shenzhen Inquiry
Batchno.20250420 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-101116
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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 21168-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21168-73-0 / 1-(2-hydroxyethyl)piperidine-4-carbonitrile

Standard CAS: 21168-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21168-73-0
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
SMILES
C1CN(CCC1C#N)CCO
InChI
InChI=1S/C8H14N2O/c9-7-8-1-3-10(4-2-8)5-6-11/h8,11H,1-6H2
InChIKey
GDPPKOWXZGFJLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.86
TPSA
47.26

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.51

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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