1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride

C14H21ClF2N2O — CID 171175381

IUPAC1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18;/h2-5,13-14,17H,6-10H2,1H3;1H/t13-;/m1./s1
InChIKeyRDXDXPVZJNBBHB-BTQNPOSSSA-N
MW306.78 g/mol
LogP2.72
Rot. Bonds5

About 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride

1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride (PubChem CID 171175381) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
PubChem CID171175381
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC Name1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18;/h2-5,13-14,17H,6-10H2,1H3;1H/t13-;/m1./s1
InChIKeyRDXDXPVZJNBBHB-BTQNPOSSSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1S)-3,3-difluoro-1-(4-fluoro-3-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171179855
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride (CID 171175381) is 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride is COc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride?
The InChIKey is RDXDXPVZJNBBHB-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18;/h2-5,13-14,17H,6-10H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride?
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171175381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).