1-(cyclohex-3-en-1-ylmethyl)piperazine

C11H20N2 — CID 3150600

IUPAC1-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H20N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-2,11-12H,3-10H2
InChIKeyKAICLKLVRUKYRD-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.25
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)piperazine

1-(cyclohex-3-en-1-ylmethyl)piperazine (PubChem CID 3150600) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)piperazine
PubChem CID3150600
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H20N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-2,11-12H,3-10H2
InChIKeyKAICLKLVRUKYRD-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.25
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-(cyclohex-3-en-1-ylmethyl)piperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperazine (CID 3150600) is 1-(cyclohex-3-en-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)piperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)piperazine is C1=CCC(CN2CCNCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)piperazine?
The InChIKey is KAICLKLVRUKYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-2,11-12H,3-10H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)piperazine?
1-(cyclohex-3-en-1-ylmethyl)piperazine has a molecular weight of 180.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)piperazine is sourced from PubChem (CID 3150600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).