1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine

C13H18F2N2 — CID 171164114

IUPAC1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-2-12(17-8-6-16-7-9-17)10-4-3-5-11(14)13(10)15/h3-5,12,16H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyHPMXGLKYUUGDKP-LBPRGKRZSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

About 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine

1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine (PubChem CID 171164114) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
PubChem CID171164114
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-2-12(17-8-6-16-7-9-17)10-4-3-5-11(14)13(10)15/h3-5,12,16H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyHPMXGLKYUUGDKP-LBPRGKRZSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
1-[(1S)-1-(3-bromo-2-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171276688
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303614
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1R)-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290288
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine (CID 171164114) is 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine is CC[C@@H](c1cccc(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine?
The InChIKey is HPMXGLKYUUGDKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-12(17-8-6-16-7-9-17)10-4-3-5-11(14)13(10)15/h3-5,12,16H,2,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine?
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine is sourced from PubChem (CID 171164114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).