1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride

C18H21ClFNO — CID 139758416

IUPAC1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FNO.ClH/c19-17-9-7-16(8-10-17)18(21)11-4-12-20(14-18)13-15-5-2-1-3-6-15;/h1-3,5-10,21H,4,11-14H2;1H
InChIKeyUYSMYDREJOAASR-UHFFFAOYSA-N
MW321.82 g/mol
LogP3.73
Rot. Bonds3

About 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride

1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride (PubChem CID 139758416) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
PubChem CID139758416
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FNO.ClH/c19-17-9-7-16(8-10-17)18(21)11-4-12-20(14-18)13-15-5-2-1-3-6-15;/h1-3,5-10,21H,4,11-14H2;1H
InChIKeyUYSMYDREJOAASR-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
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4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
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1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride (CID 139758416) is 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride is Cl.OC1(c2ccc(F)cc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride?
The InChIKey is UYSMYDREJOAASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO.ClH/c19-17-9-7-16(8-10-17)18(21)11-4-12-20(14-18)13-15-5-2-1-3-6-15;/h1-3,5-10,21H,4,11-14H2;1H.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride?
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride has a molecular weight of 321.82 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 139758416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).