(1-phenylcyclohexyl)-piperidin-1-ylmethanone

C18H25NO — CID 2197578

IUPAC(1-phenylcyclohexyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H25NO/c20-17(19-14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKeyBZWGVLKXFYINRC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.90
Rot. Bonds2

About (1-phenylcyclohexyl)-piperidin-1-ylmethanone

(1-phenylcyclohexyl)-piperidin-1-ylmethanone (PubChem CID 2197578) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1-phenylcyclohexyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclohexyl)-piperidin-1-ylmethanone
PubChem CID2197578
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1-phenylcyclohexyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H25NO/c20-17(19-14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKeyBZWGVLKXFYINRC-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclohexyl)-piperidin-1-ylmethanone?
The IUPAC name of (1-phenylcyclohexyl)-piperidin-1-ylmethanone (CID 2197578) is (1-phenylcyclohexyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-phenylcyclohexyl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-phenylcyclohexyl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-phenylcyclohexyl)-piperidin-1-ylmethanone?
The InChIKey is BZWGVLKXFYINRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17(19-14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h1,4-5,10-11H,2-3,6-9,12-15H2.
What are the key properties of (1-phenylcyclohexyl)-piperidin-1-ylmethanone?
(1-phenylcyclohexyl)-piperidin-1-ylmethanone has a molecular weight of 271.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclohexyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2197578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).