1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine

C18H20ClFN2 — CID 756921

IUPAC1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClFN2/c19-17-7-4-8-18(20)16(17)14-22-11-9-21(10-12-22)13-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyDFJRIUKQWDTWRO-UHFFFAOYSA-N
MW318.82 g/mol
LogP3.80
Rot. Bonds4

About 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine

1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine (PubChem CID 756921) has the molecular formula C18H20ClFN2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
PubChem CID756921
Molecular FormulaC18H20ClFN2
Molecular Weight318.82 g/mol
Exact Mass318.13
IUPAC Name1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClFN2/c19-17-7-4-8-18(20)16(17)14-22-11-9-21(10-12-22)13-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyDFJRIUKQWDTWRO-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Chlorcyclizine Hydrochloride
CID 62413
1,4-Dibenzylpiperazine
CID 200601
Clocinizine
CID 5375618
F16357
CID 19323337
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Chlorcyclizine, (R)-
CID 688438
1,4-Dibenzylpiperazine dihydrochloride
CID 200600
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine (CID 756921) is 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine is Fc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The InChIKey is DFJRIUKQWDTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2/c19-17-7-4-8-18(20)16(17)14-22-11-9-21(10-12-22)13-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine has a molecular weight of 318.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 756921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).