1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine

C15H28N2 — CID 74332643

IUPAC1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine
SMILESCC1=CCC(C(C)CCN2CCNCC2)CC1
InChIInChI=1S/C15H28N2/c1-13-3-5-15(6-4-13)14(2)7-10-17-11-8-16-9-12-17/h3,14-16H,4-12H2,1-2H3
InChIKeyDUWYIKDUIZWFBL-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine

1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine (PubChem CID 74332643) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine
PubChem CID74332643
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine
SMILESCC1=CCC(C(C)CCN2CCNCC2)CC1
InChIInChI=1S/C15H28N2/c1-13-3-5-15(6-4-13)14(2)7-10-17-11-8-16-9-12-17/h3,14-16H,4-12H2,1-2H3
InChIKeyDUWYIKDUIZWFBL-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.66
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-(4-methylcyclohex-3-en-1-yl)butyl]piperazine?
The IUPAC name of 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine (CID 74332643) is 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine.
What is the SMILES notation for 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine?
The canonical SMILES for 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine is CC1=CCC(C(C)CCN2CCNCC2)CC1.
What is the InChIKey of 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine?
The InChIKey is DUWYIKDUIZWFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13-3-5-15(6-4-13)14(2)7-10-17-11-8-16-9-12-17/h3,14-16H,4-12H2,1-2H3.
What are the key properties of 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine?
1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylcyclohex-3-en-1-yl)butyl]piperazine is sourced from PubChem (CID 74332643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).