1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine

C24H25ClN2 — CID 130244404

IUPAC1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN2/c1-19-6-12-23(13-7-19)27-16-14-26(15-17-27)18-21-4-2-3-5-24(21)20-8-10-22(25)11-9-20/h2-13H,14-18H2,1H3
InChIKeyJMDTVXQUOBRPQN-UHFFFAOYSA-N
MW376.93 g/mol
LogP5.64
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine

1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine (PubChem CID 130244404) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
PubChem CID130244404
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN2/c1-19-6-12-23(13-7-19)27-16-14-26(15-17-27)18-21-4-2-3-5-24(21)20-8-10-22(25)11-9-20/h2-13H,14-18H2,1H3
InChIKeyJMDTVXQUOBRPQN-UHFFFAOYSA-N
XLogP5.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
CID 59186614
benzene;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-sulfonylbenzamide
CID 174652747
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
CID 58646271
CID 58646271
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
methyl 2-(2-chlorophenoxy)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoate
CID 67227610
4-[4-[[2-(4-iodophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 70305615
4-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-nitrobenzonitrile;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-nitrobenzonitrile;4-methylbenzenesulfonic acid
CID 158425701
N-(1-adamantylsulfonyl)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 70695487
methyl 2-(benzylamino)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoate
CID 67144773
1-[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]phenyl]ethanone;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 160831201

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine (CID 130244404) is 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine?
The InChIKey is JMDTVXQUOBRPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2/c1-19-6-12-23(13-7-19)27-16-14-26(15-17-27)18-21-4-2-3-5-24(21)20-8-10-22(25)11-9-20/h2-13H,14-18H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine?
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine has a molecular weight of 376.93 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 130244404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).