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

C15H23ClF2N2O2 — CID 171178562

IUPAC1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCOc1cc(OC)cc([C@H](CC(F)F)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-20-12-7-11(8-13(9-12)21-2)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyVGSZKIDUVMJTRL-UQKRIMTDSA-N
MW336.81 g/mol
LogP2.73
Rot. Bonds6

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

1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171178562) has the molecular formula C15H23ClF2N2O2 and a molecular weight of 336.81 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171178562
Molecular FormulaC15H23ClF2N2O2
Molecular Weight336.81 g/mol
Exact Mass336.14
IUPAC Name1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCOc1cc(OC)cc([C@H](CC(F)F)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-20-12-7-11(8-13(9-12)21-2)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyVGSZKIDUVMJTRL-UQKRIMTDSA-N
XLogP2.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
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-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175616
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178051
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
(3S)-3-(3,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305828
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171178562) is 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is COc1cc(OC)cc([C@H](CC(F)F)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is VGSZKIDUVMJTRL-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22F2N2O2.ClH/c1-20-12-7-11(8-13(9-12)21-2)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 336.81 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171178562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).