1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol

C15H18F2N4O — CID 167954603

IUPAC1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]n2)CCCN(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N4O/c16-12-3-2-11(8-13(12)17)4-7-21-6-1-5-15(22,10-21)14-9-18-20-19-14/h2-3,8-9,22H,1,4-7,10H2,(H,18,19,20)
InChIKeyIRJPFJLFUZZWKN-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol

1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 167954603) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID167954603
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]n2)CCCN(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N4O/c16-12-3-2-11(8-13(12)17)4-7-21-6-1-5-15(22,10-21)14-9-18-20-19-14/h2-3,8-9,22H,1,4-7,10H2,(H,18,19,20)
InChIKeyIRJPFJLFUZZWKN-UHFFFAOYSA-N
XLogP1.61
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol 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

1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954203
1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756639
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
4-chloro-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]benzonitrile
CID 128977782
N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
CID 128980324
1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756855
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 167977497
1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 167834795
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128980343
4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
CID 146135871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol (CID 167954603) is 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol is OC1(c2cn[nH]n2)CCCN(CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is IRJPFJLFUZZWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c16-12-3-2-11(8-13(12)17)4-7-21-6-1-5-15(22,10-21)14-9-18-20-19-14/h2-3,8-9,22H,1,4-7,10H2,(H,18,19,20).
What are the key properties of 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 308.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 167954603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).