1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine

C19H22Cl2N2 — CID 19922955

IUPAC1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
SMILESClCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2/c20-10-11-22-12-14-23(15-13-22)19(16-4-2-1-3-5-16)17-6-8-18(21)9-7-17/h1-9,19H,10-15H2
InChIKeyZJIVFSMHFMGJMV-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine

1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine (PubChem CID 19922955) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
PubChem CID19922955
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
SMILESClCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2/c20-10-11-22-12-14-23(15-13-22)19(16-4-2-1-3-5-16)17-6-8-18(21)9-7-17/h1-9,19H,10-15H2
InChIKeyZJIVFSMHFMGJMV-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.29
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-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782
7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene
CID 57116597
1-[(4-chlorophenyl)-phenylmethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine;ethane
CID 170602345
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
(E)-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 66918222
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine (CID 19922955) is 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine is ClCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
The InChIKey is ZJIVFSMHFMGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c20-10-11-22-12-14-23(15-13-22)19(16-4-2-1-3-5-16)17-6-8-18(21)9-7-17/h1-9,19H,10-15H2.
What are the key properties of 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine has a molecular weight of 349.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 19922955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).