2-(4-phenylpiperidin-1-yl)cyclohexan-1-one

C17H23NO — CID 15925759

IUPAC2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeySQDKWKLTYJHORV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds2

About 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one

2-(4-phenylpiperidin-1-yl)cyclohexan-1-one (PubChem CID 15925759) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
PubChem CID15925759
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeySQDKWKLTYJHORV-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one (CID 15925759) is 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one is O=C1CCCCC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one?
The InChIKey is SQDKWKLTYJHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one?
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 15925759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).