1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C15H23ClF2N2 — CID 171180890

IUPAC1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCCc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16)17)19-9-7-18-8-10-19;/h3-6,14-15,18H,2,7-11H2,1H3;1H/t14-;/m0./s1
InChIKeyNICAHQGUEKJPEP-UQKRIMTDSA-N
MW304.81 g/mol
LogP3.27
Rot. Bonds5

About 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171180890) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171180890
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC Name1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCCc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16)17)19-9-7-18-8-10-19;/h3-6,14-15,18H,2,7-11H2,1H3;1H/t14-;/m0./s1
InChIKeyNICAHQGUEKJPEP-UQKRIMTDSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
1-[(1S)-1-(4-ethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171281149
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
1-[(1R)-1-(4-ethylphenyl)but-3-enyl]piperazine
CID 171293770
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171179209

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171180890) is 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is CCc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is NICAHQGUEKJPEP-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-2-12-3-5-13(6-4-12)14(11-15(16)17)19-9-7-18-8-10-19;/h3-6,14-15,18H,2,7-11H2,1H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171180890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).