2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol

C17H23F2N5O — CID 50907306

IUPAC2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(CC(O)(Cn1cncn1)c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C17H23F2N5O/c1-23(14-4-6-20-7-5-14)9-17(25,10-24-12-21-11-22-24)15-3-2-13(18)8-16(15)19/h2-3,8,11-12,14,20,25H,4-7,9-10H2,1H3
InChIKeyILQDCSVKRLAOKY-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.13
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 50907306) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID50907306
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC Name2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(CC(O)(Cn1cncn1)c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C17H23F2N5O/c1-23(14-4-6-20-7-5-14)9-17(25,10-24-12-21-11-22-24)15-3-2-13(18)8-16(15)19/h2-3,8,11-12,14,20,25H,4-7,9-10H2,1H3
InChIKeyILQDCSVKRLAOKY-UHFFFAOYSA-N
XLogP1.13
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

4-[cyclopropyl-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]benzonitrile
CID 71451638
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-[(4-tert-butylphenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11524470
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 178072377
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 178072378
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-N-methylquinoline-2-carboxamide
CID 178072349
2-(2,4-difluorophenyl)-1-[methyl-[(4-methyl-9-bicyclo[6.5.0]tridecanyl)methyl]amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 134388271
(2R)-2-(2,4-difluorophenyl)-4-piperazin-1-ylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol;dihydrochloride
CID 67780347
2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 91151476
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 50907306) is 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol is CN(CC(O)(Cn1cncn1)c1ccc(F)cc1F)C1CCNCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is ILQDCSVKRLAOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-23(14-4-6-20-7-5-14)9-17(25,10-24-12-21-11-22-24)15-3-2-13(18)8-16(15)19/h2-3,8,11-12,14,20,25H,4-7,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 351.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 50907306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).