(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol

C16H24F2N2O — CID 59757767

IUPAC(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol
SMILESCN[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1C
InChIInChI=1S/C16H24F2N2O/c1-19-14(9-11-7-12(17)10-13(18)8-11)16(21)15-5-3-4-6-20(15)2/h7-8,10,14-16,19,21H,3-6,9H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyASPMMPZPBHIRGP-XHSDSOJGSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds5

About (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol

(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol (PubChem CID 59757767) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol
PubChem CID59757767
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol
SMILESCN[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1C
InChIInChI=1S/C16H24F2N2O/c1-19-14(9-11-7-12(17)10-13(18)8-11)16(21)15-5-3-4-6-20(15)2/h7-8,10,14-16,19,21H,3-6,9H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyASPMMPZPBHIRGP-XHSDSOJGSA-N
XLogP1.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol?
The IUPAC name of (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol (CID 59757767) is (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol?
The canonical SMILES for (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol is CN[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1C.
What is the InChIKey of (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol?
The InChIKey is ASPMMPZPBHIRGP-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-19-14(9-11-7-12(17)10-13(18)8-11)16(21)15-5-3-4-6-20(15)2/h7-8,10,14-16,19,21H,3-6,9H2,1-2H3/t14-,15+,16-/m0/s1.
What are the key properties of (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol?
(1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol has a molecular weight of 298.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-(3,5-difluorophenyl)-2-(methylamino)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol is sourced from PubChem (CID 59757767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).