1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine

C14H16F2N4 — CID 128994066

IUPAC1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFc1cccc(F)c1CN1CCCCC1c1ncn[nH]1
InChIInChI=1S/C14H16F2N4/c15-11-4-3-5-12(16)10(11)8-20-7-2-1-6-13(20)14-17-9-18-19-14/h3-5,9,13H,1-2,6-8H2,(H,17,18,19)
InChIKeyOLGRFLRCZUADOD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.81
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine

1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 128994066) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID128994066
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFc1cccc(F)c1CN1CCCCC1c1ncn[nH]1
InChIInChI=1S/C14H16F2N4/c15-11-4-3-5-12(16)10(11)8-20-7-2-1-6-13(20)14-17-9-18-19-14/h3-5,9,13H,1-2,6-8H2,(H,17,18,19)
InChIKeyOLGRFLRCZUADOD-UHFFFAOYSA-N
XLogP2.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
N-(2,6-difluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
CID 136585664
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128544416
1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 129380474
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
(2S)-1-[(2,6-difluorophenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487395
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380525

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine (CID 128994066) is 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine is Fc1cccc(F)c1CN1CCCCC1c1ncn[nH]1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is OLGRFLRCZUADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c15-11-4-3-5-12(16)10(11)8-20-7-2-1-6-13(20)14-17-9-18-19-14/h3-5,9,13H,1-2,6-8H2,(H,17,18,19).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 278.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 128994066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).