1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine

C19H26Cl2N2 — CID 164673257

IUPAC1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine
SMILESClc1cccc(N2CCN(C/C=C/C3CCCCC3)CC2)c1Cl
InChIInChI=1S/C19H26Cl2N2/c20-17-9-4-10-18(19(17)21)23-14-12-22(13-15-23)11-5-8-16-6-2-1-3-7-16/h4-5,8-10,16H,1-3,6-7,11-15H2/b8-5+
InChIKeyNJBFPSADHVORMG-VMPITWQZSA-N
MW353.34 g/mol
LogP5.25
Rot. Bonds4

About 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine

1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine (PubChem CID 164673257) has the molecular formula C19H26Cl2N2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine
PubChem CID164673257
Molecular FormulaC19H26Cl2N2
Molecular Weight353.34 g/mol
Exact Mass352.15
IUPAC Name1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine
SMILESClc1cccc(N2CCN(C/C=C/C3CCCCC3)CC2)c1Cl
InChIInChI=1S/C19H26Cl2N2/c20-17-9-4-10-18(19(17)21)23-14-12-22(13-15-23)11-5-8-16-6-2-1-3-7-16/h4-5,8-10,16H,1-3,6-7,11-15H2/b8-5+
InChIKeyNJBFPSADHVORMG-VMPITWQZSA-N
XLogP5.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.25
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

2-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione
CID 11774742
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 175084902
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-3-fluorobenzamide
CID 11396088
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
7-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enoxy]-1H-quinolin-2-one
CID 11775114
6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
CID 170584725
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10761040

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine?
The IUPAC name of 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine (CID 164673257) is 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine.
What is the SMILES notation for 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine?
The canonical SMILES for 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine is Clc1cccc(N2CCN(C/C=C/C3CCCCC3)CC2)c1Cl.
What is the InChIKey of 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine?
The InChIKey is NJBFPSADHVORMG-VMPITWQZSA-N. The full InChI is InChI=1S/C19H26Cl2N2/c20-17-9-4-10-18(19(17)21)23-14-12-22(13-15-23)11-5-8-16-6-2-1-3-7-16/h4-5,8-10,16H,1-3,6-7,11-15H2/b8-5+.
What are the key properties of 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine?
1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine has a molecular weight of 353.34 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine is sourced from PubChem (CID 164673257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).