2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol

C20H25FN2O — CID 113239321

IUPAC2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c21-18-10-8-17(9-11-18)20(24)13-22-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,22,24H,4,7,12-15H2
InChIKeyCBKVMPHIFFQYGS-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.11
Rot. Bonds6

About 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol

2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 113239321) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID113239321
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c21-18-10-8-17(9-11-18)20(24)13-22-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,22,24H,4,7,12-15H2
InChIKeyCBKVMPHIFFQYGS-UHFFFAOYSA-N
XLogP3.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-(Benzylamino)-1-phenylethanol
CID 229746
2-(4-Benzylpiperazino)-1-phenyl-1-ethanol
CID 2767001
Phenyl(piperidin-2-yl)methanol
CID 225581
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
(1S)-1-(2-Fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanol
CID 53350238
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
(1R)-2-[(1S,5R)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168270750
(1S)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168273053

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol (CID 113239321) is 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol is OC(CNC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is CBKVMPHIFFQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-18-10-8-17(9-11-18)20(24)13-22-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,22,24H,4,7,12-15H2.
What are the key properties of 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol?
2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 328.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-3-yl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 113239321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).