1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine

C14H26N2 — CID 59639454

IUPAC1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine
SMILESC=C(C)C1(N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C14H26N2/c1-13(2)14(7-5-4-6-8-14)16-11-9-15(3)10-12-16/h1,4-12H2,2-3H3
InChIKeySSVUDVPAQKTCLQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.51
Rot. Bonds2

About 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine

1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine (PubChem CID 59639454) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine
PubChem CID59639454
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine
SMILESC=C(C)C1(N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C14H26N2/c1-13(2)14(7-5-4-6-8-14)16-11-9-15(3)10-12-16/h1,4-12H2,2-3H3
InChIKeySSVUDVPAQKTCLQ-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine (CID 59639454) is 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine is C=C(C)C1(N2CCN(C)CC2)CCCCC1.
What is the InChIKey of 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine?
The InChIKey is SSVUDVPAQKTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2)14(7-5-4-6-8-14)16-11-9-15(3)10-12-16/h1,4-12H2,2-3H3.
What are the key properties of 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine?
1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 59639454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).