1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride

C16H25ClF2N2O — CID 171180814

IUPAC1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24F2N2O.ClH/c1-12(2)21-14-5-3-13(4-6-14)15(11-16(17)18)20-9-7-19-8-10-20;/h3-6,12,15-16,19H,7-11H2,1-2H3;1H/t15-;/m0./s1
InChIKeyMSRQZZOBICAECF-RSAXXLAASA-N
MW334.84 g/mol
LogP3.50
Rot. Bonds6

About 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride

1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride (PubChem CID 171180814) has the molecular formula C16H25ClF2N2O and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
PubChem CID171180814
Molecular FormulaC16H25ClF2N2O
Molecular Weight334.84 g/mol
Exact Mass334.16
IUPAC Name1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24F2N2O.ClH/c1-12(2)21-14-5-3-13(4-6-14)15(11-16(17)18)20-9-7-19-8-10-20;/h3-6,12,15-16,19H,7-11H2,1-2H3;1H/t15-;/m0./s1
InChIKeyMSRQZZOBICAECF-RSAXXLAASA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]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-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171189675
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride (CID 171180814) is 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride is CC(C)Oc1ccc([C@H](CC(F)F)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride?
The InChIKey is MSRQZZOBICAECF-RSAXXLAASA-N. The full InChI is InChI=1S/C16H24F2N2O.ClH/c1-12(2)21-14-5-3-13(4-6-14)15(11-16(17)18)20-9-7-19-8-10-20;/h3-6,12,15-16,19H,7-11H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride?
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride has a molecular weight of 334.84 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).