(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol

C13H24N4O — CID 56744192

IUPAC(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC[C@H]1CN(Cc2ncnn2CC)CC[C@@]1(C)O
InChIInChI=1S/C13H24N4O/c1-4-11-8-16(7-6-13(11,3)18)9-12-14-10-15-17(12)5-2/h10-11,18H,4-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyOVAIDFQNOWVXOL-WCQYABFASA-N
MW252.36 g/mol
LogP1.28
Rot. Bonds4

About (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol

(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 56744192) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID56744192
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC[C@H]1CN(Cc2ncnn2CC)CC[C@@]1(C)O
InChIInChI=1S/C13H24N4O/c1-4-11-8-16(7-6-13(11,3)18)9-12-14-10-15-17(12)5-2/h10-11,18H,4-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyOVAIDFQNOWVXOL-WCQYABFASA-N
XLogP1.28
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol (CID 56744192) is (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol is CC[C@H]1CN(Cc2ncnn2CC)CC[C@@]1(C)O.
What is the InChIKey of (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is OVAIDFQNOWVXOL-WCQYABFASA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-8-16(7-6-13(11,3)18)9-12-14-10-15-17(12)5-2/h10-11,18H,4-9H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol?
(3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 56744192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).