1-[(3-chloro-4-fluorophenyl)methyl]piperazine

C11H14ClFN2 — CID 19618115

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1Cl
InChIInChI=1S/C11H14ClFN2/c12-10-7-9(1-2-11(10)13)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyKRFOGHPIUODJAR-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.88
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]piperazine

1-[(3-chloro-4-fluorophenyl)methyl]piperazine (PubChem CID 19618115) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]piperazine
PubChem CID19618115
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1Cl
InChIInChI=1S/C11H14ClFN2/c12-10-7-9(1-2-11(10)13)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyKRFOGHPIUODJAR-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
1-[(4-fluoro-3-phenylphenyl)methyl]piperazine
CID 117429281
1-(2-chloroethyl)-4-[(3-chloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 103041322
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperazine (CID 19618115) is 1-[(3-chloro-4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The InChIKey is KRFOGHPIUODJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-10-7-9(1-2-11(10)13)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]piperazine?
1-[(3-chloro-4-fluorophenyl)methyl]piperazine has a molecular weight of 228.70 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 19618115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).