1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one

C16H28N2O — CID 3145138

IUPAC1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2)12-16(19)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15/h3-4,14-15H,5-13H2,1-2H3
InChIKeyYTOYGHVNAOOMKW-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 3145138) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID3145138
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2)12-16(19)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15/h3-4,14-15H,5-13H2,1-2H3
InChIKeyYTOYGHVNAOOMKW-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593
tert-butyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
CID 139403745
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2881442
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317771
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
CID 796138
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228
5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 55157332
[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 873466

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one (CID 3145138) is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is YTOYGHVNAOOMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)12-16(19)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15/h3-4,14-15H,5-13H2,1-2H3.
What are the key properties of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 3145138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).