1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine

C12H15ClF2N2 — CID 117406204

IUPAC1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)c1ccc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C12H15ClF2N2/c13-10-1-2-11(12(14)15)9(7-10)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2
InChIKeyCXQNXPXQHIFOMF-UHFFFAOYSA-N
MW260.71 g/mol
LogP2.68
Rot. Bonds3

About 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine

1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine (PubChem CID 117406204) has the molecular formula C12H15ClF2N2 and a molecular weight of 260.71 g/mol. Its IUPAC name is 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
PubChem CID117406204
Molecular FormulaC12H15ClF2N2
Molecular Weight260.71 g/mol
Exact Mass260.09
IUPAC Name1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)c1ccc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C12H15ClF2N2/c13-10-1-2-11(12(14)15)9(7-10)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2
InChIKeyCXQNXPXQHIFOMF-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
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1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
5-chloro-2-(piperazin-1-ylmethyl)benzoic acid
CID 117220906
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
1-[[2-chloro-4-(1-fluoroethyl)phenyl]methyl]piperazine
CID 117395462
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
1-[(2,3-dichloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 120834339

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine (CID 117406204) is 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine is FC(F)c1ccc(Cl)cc1CN1CCNCC1.
What is the InChIKey of 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine?
The InChIKey is CXQNXPXQHIFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2/c13-10-1-2-11(12(14)15)9(7-10)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2.
What are the key properties of 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine?
1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine has a molecular weight of 260.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117406204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).