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CAS 23702-98-9 PHENYL-PIPERIDIN-2-YL-METHANOL molecular structure lightbox
CAS RN: 23702-98-9

PHENYL-PIPERIDIN-2-YL-METHANOL

  • Product code: SSC-115290
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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: 5g
  • 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 23702-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

23702-98-9 / phenyl(piperidin-2-yl)methanol

Standard CAS: 23702-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23702-98-9
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
C1CCNC(C1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-3,6-7,11-14H,4-5,8-9H2
InChIKey
WZCPDFBYBSINPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.04
TPSA
32.26

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
-0.5
Consensus LogP
1
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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