1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine

C17H18Cl2N2 — CID 114846295

IUPAC1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
SMILESClCc1ccc(Cl)cc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2/c18-13-14-6-7-15(19)12-17(14)21-10-8-20(9-11-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
InChIKeyPFCMHGQKGDSOLW-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.41
Rot. Bonds3

About 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine

1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine (PubChem CID 114846295) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
PubChem CID114846295
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
SMILESClCc1ccc(Cl)cc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2/c18-13-14-6-7-15(19)12-17(14)21-10-8-20(9-11-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
InChIKeyPFCMHGQKGDSOLW-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
CID 114846605
1-[5-chloro-2-(chloromethyl)phenyl]-4-propan-2-ylpiperazine
CID 114846416
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
CID 70247094
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium
CID 7786020
1-[5-chloro-2-(chloromethyl)phenyl]-3,3-diethylpyrrolidine
CID 114846776
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
3-(chloromethyl)-6-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-1H-pyridin-2-one;hydrochloride
CID 21404555

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine?
The IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine (CID 114846295) is 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine?
The canonical SMILES for 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine is ClCc1ccc(Cl)cc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine?
The InChIKey is PFCMHGQKGDSOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-13-14-6-7-15(19)12-17(14)21-10-8-20(9-11-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2.
What are the key properties of 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine?
1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine is sourced from PubChem (CID 114846295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).