1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol

C13H19F2N3O — CID 103787981

IUPAC1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ccccn2)CC1)C(F)F
InChIInChI=1S/C13H19F2N3O/c14-13(15)11(19)9-17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11,13,17,19H,4-5,7-9H2
InChIKeyGDVLFPOSNHVRTP-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.27
Rot. Bonds5

About 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol

1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103787981) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103787981
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESOC(CNC1CCN(c2ccccn2)CC1)C(F)F
InChIInChI=1S/C13H19F2N3O/c14-13(15)11(19)9-17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11,13,17,19H,4-5,7-9H2
InChIKeyGDVLFPOSNHVRTP-UHFFFAOYSA-N
XLogP1.27
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
CID 111476604
1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
CID 110897961
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-[(2R)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323063
N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323062
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol (CID 103787981) is 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol is OC(CNC1CCN(c2ccccn2)CC1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is GDVLFPOSNHVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c14-13(15)11(19)9-17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11,13,17,19H,4-5,7-9H2.
What are the key properties of 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 271.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103787981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).