1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine

C16H28N2 — CID 2881661

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
SMILESC1=CCC(CN2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C16H28N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-2,15-16H,3-14H2
InChIKeyMRCGNJCHHNUUBF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.90
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine

1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine (PubChem CID 2881661) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
PubChem CID2881661
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
SMILESC1=CCC(CN2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C16H28N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-2,15-16H,3-14H2
InChIKeyMRCGNJCHHNUUBF-UHFFFAOYSA-N
XLogP2.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.90
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 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine (CID 2881661) is 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine is C1=CCC(CN2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine?
The InChIKey is MRCGNJCHHNUUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-2,15-16H,3-14H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine is sourced from PubChem (CID 2881661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).