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

C20H25NO — CID 5189624

IUPAC2-(4-benzylpiperidin-1-yl)-1-phenylethanol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25NO/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18,20,22H,11-16H2
InChIKeySWJSKHQZLJYDSG-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.67
Rot. Bonds5

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

2-(4-benzylpiperidin-1-yl)-1-phenylethanol (PubChem CID 5189624) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-phenylethanol
PubChem CID5189624
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-phenylethanol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25NO/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18,20,22H,11-16H2
InChIKeySWJSKHQZLJYDSG-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylethanol (CID 5189624) is 2-(4-benzylpiperidin-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-phenylethanol is OC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-phenylethanol?
The InChIKey is SWJSKHQZLJYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18,20,22H,11-16H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-phenylethanol?
2-(4-benzylpiperidin-1-yl)-1-phenylethanol has a molecular weight of 295.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-phenylethanol is sourced from PubChem (CID 5189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).