1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride

C20H26ClNO — CID 10088107

IUPAC1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
SMILESCl.OC(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO.ClH/c22-20(15-17-7-3-1-4-8-17)19-11-13-21(14-12-19)16-18-9-5-2-6-10-18;/h1-10,19-20,22H,11-16H2;1H
InChIKeyRQUDSZHHVQDPNA-UHFFFAOYSA-N
MW331.89 g/mol
LogP3.92
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride

1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride (PubChem CID 10088107) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
PubChem CID10088107
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
SMILESCl.OC(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO.ClH/c22-20(15-17-7-3-1-4-8-17)19-11-13-21(14-12-19)16-18-9-5-2-6-10-18;/h1-10,19-20,22H,11-16H2;1H
InChIKeyRQUDSZHHVQDPNA-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride (CID 10088107) is 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride is Cl.OC(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride?
The InChIKey is RQUDSZHHVQDPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c22-20(15-17-7-3-1-4-8-17)19-11-13-21(14-12-19)16-18-9-5-2-6-10-18;/h1-10,19-20,22H,11-16H2;1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride?
1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride is sourced from PubChem (CID 10088107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).