(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone

C13H22N2O — CID 91350322

IUPAC(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone
SMILESC=C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15/h12H,1,3-10H2,2H3
InChIKeySBZLIKPGBATXQK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.51
Rot. Bonds1

About (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone

(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 91350322) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID91350322
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone
SMILESC=C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15/h12H,1,3-10H2,2H3
InChIKeySBZLIKPGBATXQK-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone (CID 91350322) is (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone is C=C1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SBZLIKPGBATXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15/h12H,1,3-10H2,2H3.
What are the key properties of (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone?
(4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohexyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 91350322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).