1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone

C14H25NO — CID 64750444

IUPAC1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)16/h11,13-14H,3-10H2,1-2H3
InChIKeyAVLPDJBCCQRVQM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone

1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone (PubChem CID 64750444) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
PubChem CID64750444
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)16/h11,13-14H,3-10H2,1-2H3
InChIKeyAVLPDJBCCQRVQM-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
CID 177358197
1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone
CID 144857391
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
(4-methoxypiperidin-1-yl)-[1-(4-methylcyclohexyl)piperidin-4-yl]methanone
CID 171833705
1-[1-(1-ethylazetidin-3-yl)piperidin-4-yl]ethanone
CID 155067124
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 177135013
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone (CID 64750444) is 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone?
The InChIKey is AVLPDJBCCQRVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)16/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone?
1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 64750444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).