1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol

C13H24N4O — CID 111113969

IUPAC1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESCCn1c(C)nnc1CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H24N4O/c1-4-17-11(3)14-15-13(17)9-16-7-5-12(6-8-16)10(2)18/h10,12,18H,4-9H2,1-3H3
InChIKeyWOBIJZHDTSMRPP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.20
Rot. Bonds4

About 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 111113969) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol
PubChem CID111113969
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESCCn1c(C)nnc1CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H24N4O/c1-4-17-11(3)14-15-13(17)9-16-7-5-12(6-8-16)10(2)18/h10,12,18H,4-9H2,1-3H3
InChIKeyWOBIJZHDTSMRPP-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol (CID 111113969) is 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol is CCn1c(C)nnc1CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is WOBIJZHDTSMRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-11(3)14-15-13(17)9-16-7-5-12(6-8-16)10(2)18/h10,12,18H,4-9H2,1-3H3.
What are the key properties of 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).