1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone

C13H22N2O — CID 58902777

IUPAC1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone
SMILESC=C1CCC(N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-5-13(6-4-11)15-9-7-14(8-10-15)12(2)16/h13H,1,3-10H2,2H3
InChIKeyLCNYKMIHXYPGMW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds1

About 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone

1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone (PubChem CID 58902777) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone
PubChem CID58902777
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone
SMILESC=C1CCC(N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-5-13(6-4-11)15-9-7-14(8-10-15)12(2)16/h13H,1,3-10H2,2H3
InChIKeyLCNYKMIHXYPGMW-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-Methylammodendrine
CID 171125
(S)-1-(5-(1-Methylpiperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl)ethan-1-one
CID 44583965
N-methylammodendrine
CID 11218329
2-(Dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 55250933
4-(4-Methylidenecyclohexyl)piperazin-2-one
CID 58902675
1-(4-Methylidenecyclohexyl)piperidin-2-one
CID 58902736
1-(4-Ethylpiperazin-1-yl)-4-methylpent-4-en-1-one
CID 66828109
1-(4-Hept-1-en-2-ylpiperazin-1-yl)ethanone
CID 90127569
N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide
CID 90912916
N-methyl-N-(3-methylidenecyclohexyl)acetamide
CID 90986487
1-(2-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 91499746
1-(2-Ethyl-4-methylidenepiperidin-1-yl)ethanone
CID 121367272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone (CID 58902777) is 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone is C=C1CCC(N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone?
The InChIKey is LCNYKMIHXYPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-5-13(6-4-11)15-9-7-14(8-10-15)12(2)16/h13H,1,3-10H2,2H3.
What are the key properties of 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone?
1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone has a molecular weight of 222.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylidenecyclohexyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 58902777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).