1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine

C19H21ClN2 — CID 757459

IUPAC1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESClc1ccccc1N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2
InChIKeyKEZXDOHCXIWMNF-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine

1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 757459) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID757459
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESClc1ccccc1N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2
InChIKeyKEZXDOHCXIWMNF-UHFFFAOYSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6938282
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine (CID 757459) is 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine is Clc1ccccc1N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is KEZXDOHCXIWMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2.
What are the key properties of 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine?
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 312.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 757459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).