1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine

C14H24N4O — CID 86770994

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
SMILESCn1cnnc1CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C14H24N4O/c1-17-11-15-16-14(17)10-18-6-2-12(3-7-18)13-4-8-19-9-5-13/h11-13H,2-10H2,1H3
InChIKeyIOHCFGMBEGKQCA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine (PubChem CID 86770994) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
PubChem CID86770994
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
SMILESCn1cnnc1CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C14H24N4O/c1-17-11-15-16-14(17)10-18-6-2-12(3-7-18)13-4-8-19-9-5-13/h11-13H,2-10H2,1H3
InChIKeyIOHCFGMBEGKQCA-UHFFFAOYSA-N
XLogP1.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72848313
1-(Oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 53192748
3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 53192749
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72842317
[2-[(2,2-Dimethyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
CID 169041714
[2-[(2,2-Dimethyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 172779414
2-[1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 62356822
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 62386413
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine
CID 64575707

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine (CID 86770994) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine is Cn1cnnc1CN1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine?
The InChIKey is IOHCFGMBEGKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-11-15-16-14(17)10-18-6-2-12(3-7-18)13-4-8-19-9-5-13/h11-13H,2-10H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine has a molecular weight of 264.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 86770994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).