2-benzyl-3-phenylpiperidin-3-ol;hydrochloride

C18H22ClNO — CID 117067643

IUPAC2-benzyl-3-phenylpiperidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCCNC1Cc1ccccc1
InChIInChI=1S/C18H21NO.ClH/c20-18(16-10-5-2-6-11-16)12-7-13-19-17(18)14-15-8-3-1-4-9-15;/h1-6,8-11,17,19-20H,7,12-14H2;1H
InChIKeyGFSPTBNUYCEJHM-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.29
Rot. Bonds3

About 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride

2-benzyl-3-phenylpiperidin-3-ol;hydrochloride (PubChem CID 117067643) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-phenylpiperidin-3-ol;hydrochloride
PubChem CID117067643
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-benzyl-3-phenylpiperidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCCNC1Cc1ccccc1
InChIInChI=1S/C18H21NO.ClH/c20-18(16-10-5-2-6-11-16)12-7-13-19-17(18)14-15-8-3-1-4-9-15;/h1-6,8-11,17,19-20H,7,12-14H2;1H
InChIKeyGFSPTBNUYCEJHM-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride?
The IUPAC name of 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride (CID 117067643) is 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride is Cl.OC1(c2ccccc2)CCCNC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride?
The InChIKey is GFSPTBNUYCEJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c20-18(16-10-5-2-6-11-16)12-7-13-19-17(18)14-15-8-3-1-4-9-15;/h1-6,8-11,17,19-20H,7,12-14H2;1H.
What are the key properties of 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride?
2-benzyl-3-phenylpiperidin-3-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 117067643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).