1-benzyl-4-phenylpiperidin-4-ol;hydrochloride

C18H22ClNO — CID 3021339

IUPAC1-benzyl-4-phenylpiperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO.ClH/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2;1H
InChIKeyCHTOBNYJEQFCHA-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.59
Rot. Bonds3

About 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride

1-benzyl-4-phenylpiperidin-4-ol;hydrochloride (PubChem CID 3021339) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-phenylpiperidin-4-ol;hydrochloride
PubChem CID3021339
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-benzyl-4-phenylpiperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO.ClH/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2;1H
InChIKeyCHTOBNYJEQFCHA-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride?
The IUPAC name of 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride (CID 3021339) is 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride is Cl.OC1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride?
The InChIKey is CHTOBNYJEQFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2;1H.
What are the key properties of 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride?
1-benzyl-4-phenylpiperidin-4-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 3021339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).