1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine

C14H24N4O — CID 128570987

IUPAC1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2CCC2CCCCO2)n1
InChIInChI=1S/C14H24N4O/c1-3-8-18(9-7-12-5-2-4-10-19-12)13(6-1)14-15-11-16-17-14/h11-13H,1-10H2,(H,15,16,17)
InChIKeyXSIZGKGDRKYQRV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine

1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 128570987) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID128570987
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2CCC2CCCCO2)n1
InChIInChI=1S/C14H24N4O/c1-3-8-18(9-7-12-5-2-4-10-19-12)13(6-1)14-15-11-16-17-14/h11-13H,1-10H2,(H,15,16,17)
InChIKeyXSIZGKGDRKYQRV-UHFFFAOYSA-N
XLogP2.29
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128544416
N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380525
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
5-[3,5-dimethyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-2H-tetrazole
CID 167953595
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
4-methyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 146139059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine (CID 128570987) is 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(C2CCCCN2CCC2CCCCO2)n1.
What is the InChIKey of 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is XSIZGKGDRKYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-18(9-7-12-5-2-4-10-19-12)13(6-1)14-15-11-16-17-14/h11-13H,1-10H2,(H,15,16,17).
What are the key properties of 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine?
1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 264.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 128570987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).