2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid

C17H20F2N4O2 — CID 136550811

IUPAC2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCN2CCC(c3cccc(F)c3F)CC2)nn1
InChIInChI=1S/C17H20F2N4O2/c18-15-3-1-2-14(17(15)19)12-4-7-22(8-5-12)9-6-13-10-23(21-20-13)11-16(24)25/h1-3,10,12H,4-9,11H2,(H,24,25)
InChIKeyCVTHHVVJDCCRBO-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.06
Rot. Bonds6

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

2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid (PubChem CID 136550811) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
PubChem CID136550811
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCN2CCC(c3cccc(F)c3F)CC2)nn1
InChIInChI=1S/C17H20F2N4O2/c18-15-3-1-2-14(17(15)19)12-4-7-22(8-5-12)9-6-13-10-23(21-20-13)11-16(24)25/h1-3,10,12H,4-9,11H2,(H,24,25)
InChIKeyCVTHHVVJDCCRBO-UHFFFAOYSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetic acid
CID 748310
4-(4-isobutyl-1H-1,2,3-triazol-1-yl)-1-(2-phenylpropyl)piperidine
CID 46986086
2-[4-[2-[(5R)-7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]triazol-1-yl]acetic acid
CID 164630662
(2S)-2-[(3-fluorophenyl)methyl-[(1-methyltriazol-4-yl)methyl]amino]propanoic acid
CID 164642192
2-[4-(2-Fluorophenyl)triazol-1-yl]acetic acid
CID 115032433
2-[4-(4-Fluorophenyl)triazol-1-yl]acetic acid
CID 115032435
2-[5-(4-Fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid
CID 134307913
2-(5-Deuterio-4-phenyltriazol-1-yl)acetic acid
CID 102338451
2-[3-[[4-[[4-[[2-(4-Fluorophenyl)phenyl]methyl]piperazin-1-yl]methyl]triazol-1-yl]methyl]anilino]acetic acid
CID 72722911
2-[5-(4-Fluorophenyl)triazol-1-yl]acetic acid
CID 82222068
2-[5-(3,4-Difluorophenyl)triazol-1-yl]acetic acid
CID 82222591
2-[5-(2-Fluorophenyl)triazol-1-yl]acetic acid
CID 115032431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid (CID 136550811) is 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CCN2CCC(c3cccc(F)c3F)CC2)nn1.
What is the InChIKey of 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid?
The InChIKey is CVTHHVVJDCCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c18-15-3-1-2-14(17(15)19)12-4-7-22(8-5-12)9-6-13-10-23(21-20-13)11-16(24)25/h1-3,10,12H,4-9,11H2,(H,24,25).
What are the key properties of 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid?
2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2,3-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 136550811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).