1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine

C14H25N5O — CID 102793786

IUPAC1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine
SMILESCCOCc1nc(N2CCC(C3CCCN3)CC2)n[nH]1
InChIInChI=1S/C14H25N5O/c1-2-20-10-13-16-14(18-17-13)19-8-5-11(6-9-19)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyMDGHMGUKJKXXJV-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.31
Rot. Bonds5

About 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine

1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 102793786) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine
PubChem CID102793786
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine
SMILESCCOCc1nc(N2CCC(C3CCCN3)CC2)n[nH]1
InChIInChI=1S/C14H25N5O/c1-2-20-10-13-16-14(18-17-13)19-8-5-11(6-9-19)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyMDGHMGUKJKXXJV-UHFFFAOYSA-N
XLogP1.31
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 102793742
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
6-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793725
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999570
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
4-[3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102793729
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
6-[5-[2-(oxolan-2-yl)ethyl]-1H-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793612

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine (CID 102793786) is 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine is CCOCc1nc(N2CCC(C3CCCN3)CC2)n[nH]1.
What is the InChIKey of 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is MDGHMGUKJKXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-20-10-13-16-14(18-17-13)19-8-5-11(6-9-19)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine?
1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 279.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 102793786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).