1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C13H17Cl3F2N2 — CID 171179011

IUPAC1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H16Cl2F2N2.ClH/c14-10-5-9(6-11(15)7-10)12(8-13(16)17)19-3-1-18-2-4-19;/h5-7,12-13,18H,1-4,8H2;1H/t12-;/m0./s1
InChIKeyWOOPCVWRSSJHSW-YDALLXLXSA-N
MW345.65 g/mol
LogP4.02
Rot. Bonds4

About 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171179011) has the molecular formula C13H17Cl3F2N2 and a molecular weight of 345.65 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171179011
Molecular FormulaC13H17Cl3F2N2
Molecular Weight345.65 g/mol
Exact Mass344.04
IUPAC Name1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H16Cl2F2N2.ClH/c14-10-5-9(6-11(15)7-10)12(8-13(16)17)19-3-1-18-2-4-19;/h5-7,12-13,18H,1-4,8H2;1H/t12-;/m0./s1
InChIKeyWOOPCVWRSSJHSW-YDALLXLXSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
3,5-dichloro-2-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171177550
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171178985
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol
CID 171178984
1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-(3-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302675
1-[(1R)-3,3-difluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176567

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171179011) is 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride is Cl.FC(F)C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is WOOPCVWRSSJHSW-YDALLXLXSA-N. The full InChI is InChI=1S/C13H16Cl2F2N2.ClH/c14-10-5-9(6-11(15)7-10)12(8-13(16)17)19-3-1-18-2-4-19;/h5-7,12-13,18H,1-4,8H2;1H/t12-;/m0./s1.
What are the key properties of 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 345.65 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171179011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).