4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine

C12H20N4O — CID 115041635

IUPAC4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESC1COC(c2n[nH]c(CC3CCNCC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-2-10(17-7-1)12-14-11(15-16-12)8-9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,15,16)
InChIKeySRBSBFUSMMMXHN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.20
Rot. Bonds3

About 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine

4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine (PubChem CID 115041635) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
PubChem CID115041635
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESC1COC(c2n[nH]c(CC3CCNCC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-2-10(17-7-1)12-14-11(15-16-12)8-9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,15,16)
InChIKeySRBSBFUSMMMXHN-UHFFFAOYSA-N
XLogP1.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
5-(azepan-4-ylmethyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893836
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
CID 167739757
2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 126823384
3-bromo-5-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole
CID 84694246
N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 167930167
1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792902
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
CID 130848106
4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 174288083

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The IUPAC name of 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine (CID 115041635) is 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine is C1COC(c2n[nH]c(CC3CCNCC3)n2)C1.
What is the InChIKey of 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The InChIKey is SRBSBFUSMMMXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-10(17-7-1)12-14-11(15-16-12)8-9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,15,16).
What are the key properties of 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine has a molecular weight of 236.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine is sourced from PubChem (CID 115041635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).