(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

C15H20ClF5N2O2 — CID 171180237

IUPAC(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1cc([C@@H](N2CCNCC2)C(F)(F)CO)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F5N2O2.ClH/c1-24-12-7-10(6-11(8-12)15(18,19)20)13(14(16,17)9-23)22-4-2-21-3-5-22;/h6-8,13,21,23H,2-5,9H2,1H3;1H/t13-;/m1./s1
InChIKeyIDHYQJYWTFZQCO-BTQNPOSSSA-N
MW390.78 g/mol
LogP2.71
Rot. Bonds5

About (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171180237) has the molecular formula C15H20ClF5N2O2 and a molecular weight of 390.78 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171180237
Molecular FormulaC15H20ClF5N2O2
Molecular Weight390.78 g/mol
Exact Mass390.11
IUPAC Name(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1cc([C@@H](N2CCNCC2)C(F)(F)CO)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F5N2O2.ClH/c1-24-12-7-10(6-11(8-12)15(18,19)20)13(14(16,17)9-23)22-4-2-21-3-5-22;/h6-8,13,21,23H,2-5,9H2,1H3;1H/t13-;/m1./s1
InChIKeyIDHYQJYWTFZQCO-BTQNPOSSSA-N
XLogP2.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;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

(3S)-3-(3,5-dimethoxyphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171175314
(3S)-3-[3,5-bis(trifluoromethyl)phenyl]-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171174948
1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165775
(3S)-2,2-difluoro-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171175129
(3R)-2,2-difluoro-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171178427
1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171172
1-[(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171286289
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171178323
(3S)-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176771
(3S)-2,2-difluoro-3-piperazin-1-yl-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171176311
1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171154
2,6-dibromo-4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171175218

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171180237) is (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is COc1cc([C@@H](N2CCNCC2)C(F)(F)CO)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is IDHYQJYWTFZQCO-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H19F5N2O2.ClH/c1-24-12-7-10(6-11(8-12)15(18,19)20)13(14(16,17)9-23)22-4-2-21-3-5-22;/h6-8,13,21,23H,2-5,9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 390.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).