1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine

C13H17Cl2FN2 — CID 171162697

IUPAC1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2FN2/c14-10-2-1-3-11(15)13(10)12(4-5-16)18-8-6-17-7-9-18/h1-3,12,17H,4-9H2/t12-/m0/s1
InChIKeyPSEAMXTVWBCYKY-LBPRGKRZSA-N
MW291.20 g/mol
LogP3.30
Rot. Bonds4

About 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine

1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine (PubChem CID 171162697) has the molecular formula C13H17Cl2FN2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
PubChem CID171162697
Molecular FormulaC13H17Cl2FN2
Molecular Weight291.20 g/mol
Exact Mass290.08
IUPAC Name1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2FN2/c14-10-2-1-3-11(15)13(10)12(4-5-16)18-8-6-17-7-9-18/h1-3,12,17H,4-9H2/t12-/m0/s1
InChIKeyPSEAMXTVWBCYKY-LBPRGKRZSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine
CID 171166861
1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171172193
1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
CID 171164269
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171166094
(3S)-3-(2,6-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171305748
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1S)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine
CID 171164693
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170090

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine (CID 171162697) is 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine is FCC[C@@H](c1c(Cl)cccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine?
The InChIKey is PSEAMXTVWBCYKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17Cl2FN2/c14-10-2-1-3-11(15)13(10)12(4-5-16)18-8-6-17-7-9-18/h1-3,12,17H,4-9H2/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine?
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine has a molecular weight of 291.20 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171162697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).