1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine

C17H18ClFN2 — CID 45277417

IUPAC1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
SMILESFc1ccc(C(c2ccccc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2/c18-16-12-14(19)6-7-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21/h1-7,12,17,20H,8-11H2
InChIKeyRBKLNNMICGKMLV-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.47
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine

1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine (PubChem CID 45277417) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
PubChem CID45277417
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
SMILESFc1ccc(C(c2ccccc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2/c18-16-12-14(19)6-7-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21/h1-7,12,17,20H,8-11H2
InChIKeyRBKLNNMICGKMLV-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
CID 141103100
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171289649
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3770388

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine (CID 45277417) is 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine is Fc1ccc(C(c2ccccc2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine?
The InChIKey is RBKLNNMICGKMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-16-12-14(19)6-7-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21/h1-7,12,17,20H,8-11H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine?
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine has a molecular weight of 304.80 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 45277417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).