1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine

C16H28N2 — CID 773063

IUPAC1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine
SMILESC1=CC[C@@H](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/t15-/m1/s1
InChIKeyMRCGNJCHHNUUBF-OAHLLOKOSA-N
MW248.41 g/mol
LogP2.90
Rot. Bonds3

About 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine

1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine (PubChem CID 773063) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine
PubChem CID773063
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine
SMILESC1=CC[C@@H](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/t15-/m1/s1
InChIKeyMRCGNJCHHNUUBF-OAHLLOKOSA-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'}

Analyze 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine 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-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine (CID 773063) is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine is C1=CC[C@@H](CN2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine?
The InChIKey is MRCGNJCHHNUUBF-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine?
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-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-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 773063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).