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CAS 117896-69-2 1-PHENYLPIPERIDIN-4-OL molecular structure lightbox
CAS RN: 117896-69-2

1-PHENYLPIPERIDIN-4-OL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250622 1g In stock Inquiry
Batchno.20250818 250mg In stock Inquiry
Batchno.20250924 5g In stock Inquiry
  • Product code: SSC-017722
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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 117896-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

117896-69-2 / 1-phenylpiperidin-4-ol

1-phenylpiperidin-4-ol | 1-phenyl-4-piperidinol | MFCD02093533

Standard CAS: 117896-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117896-69-2
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
C1CN(CCC1O)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey
FMHLUYMKOSEANZ-UHFFFAOYSA-N
Synonyms
1-phenylpiperidin-4-ol 1-phenyl-4-piperidinol MFCD02093533 4-Piperidinol,1-phenyl- 4-Piperidinol, 1-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.9
TPSA
23.47

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.9
Consensus LogP
2
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.63

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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