1-[(3-methylidenecyclohexyl)methyl]piperazine

C12H22N2 — CID 91446874

IUPAC1-[(3-methylidenecyclohexyl)methyl]piperazine
SMILESC=C1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C12H22N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h12-13H,1-10H2
InChIKeyRQCGFZDZVZOVHD-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds2

About 1-[(3-methylidenecyclohexyl)methyl]piperazine

1-[(3-methylidenecyclohexyl)methyl]piperazine (PubChem CID 91446874) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(3-methylidenecyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylidenecyclohexyl)methyl]piperazine
PubChem CID91446874
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(3-methylidenecyclohexyl)methyl]piperazine
SMILESC=C1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C12H22N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h12-13H,1-10H2
InChIKeyRQCGFZDZVZOVHD-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 1-[(3-methylidenecyclohexyl)methyl]piperazine?
The IUPAC name of 1-[(3-methylidenecyclohexyl)methyl]piperazine (CID 91446874) is 1-[(3-methylidenecyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methylidenecyclohexyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methylidenecyclohexyl)methyl]piperazine is C=C1CCCC(CN2CCNCC2)C1.
What is the InChIKey of 1-[(3-methylidenecyclohexyl)methyl]piperazine?
The InChIKey is RQCGFZDZVZOVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h12-13H,1-10H2.
What are the key properties of 1-[(3-methylidenecyclohexyl)methyl]piperazine?
1-[(3-methylidenecyclohexyl)methyl]piperazine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylidenecyclohexyl)methyl]piperazine is sourced from PubChem (CID 91446874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).