1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine

C20H30N2 — CID 2901953

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(CC3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H30N2/c1-2-18-8-10-20(11-9-18)17-22-14-12-21(13-15-22)16-19-6-4-3-5-7-19/h3-4,8-11,19H,2,5-7,12-17H2,1H3
InChIKeyKBQRNTCAIKTVIE-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.72
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine

1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine (PubChem CID 2901953) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
PubChem CID2901953
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(CC3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H30N2/c1-2-18-8-10-20(11-9-18)17-22-14-12-21(13-15-22)16-19-6-4-3-5-7-19/h3-4,8-11,19H,2,5-7,12-17H2,1H3
InChIKeyKBQRNTCAIKTVIE-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 741023
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 796541
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine
CID 7026419
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26337037
1-[(2-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 877952
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 764541
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
CID 796138
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
CID 163258700
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 806654

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine (CID 2901953) is 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine is CCc1ccc(CN2CCN(CC3CC=CCC3)CC2)cc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The InChIKey is KBQRNTCAIKTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-2-18-8-10-20(11-9-18)17-22-14-12-21(13-15-22)16-19-6-4-3-5-7-19/h3-4,8-11,19H,2,5-7,12-17H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine has a molecular weight of 298.47 g/mol, XLogP of 3.72, 5 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-[(4-ethylphenyl)methyl]piperazine is sourced from PubChem (CID 2901953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).