(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone

C22H27NO2 — CID 2827007

IUPAC(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCCCCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H27NO2/c1-2-3-15-23-16-14-22(25,19-12-8-5-9-13-19)20(17-23)21(24)18-10-6-4-7-11-18/h4-13,20,25H,2-3,14-17H2,1H3
InChIKeyZHBVPXBHHSJIMN-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.88
Rot. Bonds6

About (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone

(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone (PubChem CID 2827007) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
PubChem CID2827007
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCCCCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H27NO2/c1-2-3-15-23-16-14-22(25,19-12-8-5-9-13-19)20(17-23)21(24)18-10-6-4-7-11-18/h4-13,20,25H,2-3,14-17H2,1H3
InChIKeyZHBVPXBHHSJIMN-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The IUPAC name of (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone (CID 2827007) is (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone.
What is the SMILES notation for (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The canonical SMILES for (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone is CCCCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The InChIKey is ZHBVPXBHHSJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-3-15-23-16-14-22(25,19-12-8-5-9-13-19)20(17-23)21(24)18-10-6-4-7-11-18/h4-13,20,25H,2-3,14-17H2,1H3.
What are the key properties of (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
(1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone has a molecular weight of 337.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone is sourced from PubChem (CID 2827007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).