4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine

C13H22N4O — CID 74237197

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3
InChIKeyZACORYPHHCQSOZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine

4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 74237197) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
PubChem CID74237197
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3
InChIKeyZACORYPHHCQSOZ-UHFFFAOYSA-N
XLogP1.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
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
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
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
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
CID 86770994
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
4-Methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine
CID 136541707
(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
1-Ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 23389266
4-(4-Methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
CID 23389273

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine (CID 74237197) is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine is Cn1cnnc1C1CCN(CC2CCOC2)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is ZACORYPHHCQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 250.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 74237197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).