1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride

C25H28ClNO — CID 12563566

IUPAC1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27NO.ClH/c27-25(15-17-26(18-16-25)20-22-11-5-2-6-12-22)24-14-8-7-13-23(24)19-21-9-3-1-4-10-21;/h1-14,27H,15-20H2;1H
InChIKeyJQBNWCJEZXNLIE-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.18
Rot. Bonds5

About 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride

1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride (PubChem CID 12563566) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
PubChem CID12563566
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27NO.ClH/c27-25(15-17-26(18-16-25)20-22-11-5-2-6-12-22)24-14-8-7-13-23(24)19-21-9-3-1-4-10-21;/h1-14,27H,15-20H2;1H
InChIKeyJQBNWCJEZXNLIE-UHFFFAOYSA-N
XLogP5.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12831591
1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
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1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-methylpiperidin-4-ol
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CID 122236517
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
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CID 143477186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride (CID 12563566) is 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride is Cl.OC1(c2ccccc2Cc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride?
The InChIKey is JQBNWCJEZXNLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO.ClH/c27-25(15-17-26(18-16-25)20-22-11-5-2-6-12-22)24-14-8-7-13-23(24)19-21-9-3-1-4-10-21;/h1-14,27H,15-20H2;1H.
What are the key properties of 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride?
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 12563566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).