2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol

C16H21F2N5O — CID 171109054

IUPAC2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(O)(c1ccc(F)cc1F)C(CN1CCNCC1)n1cncn1
InChIInChI=1S/C16H21F2N5O/c1-16(24,13-3-2-12(17)8-14(13)18)15(23-11-20-10-21-23)9-22-6-4-19-5-7-22/h2-3,8,10-11,15,19,24H,4-7,9H2,1H3
InChIKeyGPBBRQOIHNRQRW-UHFFFAOYSA-N
MW337.37 g/mol
LogP0.91
Rot. Bonds5

About 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol

2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 171109054) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID171109054
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(O)(c1ccc(F)cc1F)C(CN1CCNCC1)n1cncn1
InChIInChI=1S/C16H21F2N5O/c1-16(24,13-3-2-12(17)8-14(13)18)15(23-11-20-10-21-23)9-22-6-4-19-5-7-22/h2-3,8,10-11,15,19,24H,4-7,9H2,1H3
InChIKeyGPBBRQOIHNRQRW-UHFFFAOYSA-N
XLogP0.91
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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Related Compounds

3-(2,4-difluorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)butanoic acid
CID 70518449
1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 68644810
1-(4-fluorophenyl)-3,4,4-trimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 12941295
(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 6482139
(2R,3S)-2-(2,4-difluorophenyl)-3-(4-imidazol-1-ylphenyl)-4-(1,2,4-triazol-1-yl)butan-2-ol
CID 70038788
(2R)-2-(2,4-difluorophenyl)-4-piperazin-1-ylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol;dihydrochloride
CID 67780347
2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 50907306
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-difluorophenyl)-3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139619155
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196921

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol (CID 171109054) is 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol is CC(O)(c1ccc(F)cc1F)C(CN1CCNCC1)n1cncn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is GPBBRQOIHNRQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-16(24,13-3-2-12(17)8-14(13)18)15(23-11-20-10-21-23)9-22-6-4-19-5-7-22/h2-3,8,10-11,15,19,24H,4-7,9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol?
2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 337.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 171109054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).