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CAS 100332-12-5 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)- molecular structure lightbox
CAS RN: 100332-12-5

3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-

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Batchno.20250811 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS100332-12-5
  • Purity/Analytical Methods: >99.0%
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100332-12-5 / [(3R,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine | 4-FHMP cpd | RefChem:912189

Standard CAS: 100332-12-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100332-12-5
Multi CAS
Yes
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
CN1CC[C@H]([C@H](C1)CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13+/m1/s1
InChIKey
CXRHUYYZISIIMT-YPMHNXCESA-N
Synonyms
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine 4-FHMP cpd RefChem:912189 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine (4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.83
TPSA
23.47

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

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