1-[(2-chlorophenyl)methyl]-4-phenylpiperazine

C17H19ClN2 — CID 765042

IUPAC1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2
InChIKeyUDOBKOKKWOJYNO-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.66
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine

1-[(2-chlorophenyl)methyl]-4-phenylpiperazine (PubChem CID 765042) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
PubChem CID765042
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2
InChIKeyUDOBKOKKWOJYNO-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
3-chloro-4-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 571813
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 116518761
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
1-[(2-chlorophenyl)methyl]-4-(2-chloro-4-pyrrol-1-ylphenyl)piperazine
CID 91674801
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 2084128
1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine;oxalic acid
CID 18399627
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine (CID 765042) is 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine is Clc1ccccc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine?
The InChIKey is UDOBKOKKWOJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine?
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine has a molecular weight of 286.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 765042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).