phenyl-(4-piperidin-1-ylcyclohexyl)methanone

C18H25NO — CID 25984

IUPACphenyl-(4-piperidin-1-ylcyclohexyl)methanone
SMILESO=C(c1ccccc1)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25NO/c20-18(15-7-3-1-4-8-15)16-9-11-17(12-10-16)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyKTVLKSCPNWLHMV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.91
Rot. Bonds3

About phenyl-(4-piperidin-1-ylcyclohexyl)methanone

phenyl-(4-piperidin-1-ylcyclohexyl)methanone (PubChem CID 25984) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is phenyl-(4-piperidin-1-ylcyclohexyl)methanone.

Molecular Properties

Compound Namephenyl-(4-piperidin-1-ylcyclohexyl)methanone
PubChem CID25984
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Namephenyl-(4-piperidin-1-ylcyclohexyl)methanone
SMILESO=C(c1ccccc1)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25NO/c20-18(15-7-3-1-4-8-15)16-9-11-17(12-10-16)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyKTVLKSCPNWLHMV-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
(3-fluorocyclopentyl)-phenylmethanone
CID 118362801
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
1-cyclopropylpiperidine
CID 10909573

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-piperidin-1-ylcyclohexyl)methanone?
The IUPAC name of phenyl-(4-piperidin-1-ylcyclohexyl)methanone (CID 25984) is phenyl-(4-piperidin-1-ylcyclohexyl)methanone.
What is the SMILES notation for phenyl-(4-piperidin-1-ylcyclohexyl)methanone?
The canonical SMILES for phenyl-(4-piperidin-1-ylcyclohexyl)methanone is O=C(c1ccccc1)C1CCC(N2CCCCC2)CC1.
What is the InChIKey of phenyl-(4-piperidin-1-ylcyclohexyl)methanone?
The InChIKey is KTVLKSCPNWLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-18(15-7-3-1-4-8-15)16-9-11-17(12-10-16)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2.
What are the key properties of phenyl-(4-piperidin-1-ylcyclohexyl)methanone?
phenyl-(4-piperidin-1-ylcyclohexyl)methanone has a molecular weight of 271.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-piperidin-1-ylcyclohexyl)methanone is sourced from PubChem (CID 25984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).