1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol

C11H20N4O — CID 114684610

IUPAC1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
SMILESCCCn1nncc1C1(O)CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-3-6-15-10(9-12-13-15)11(16)4-7-14(2)8-5-11/h9,16H,3-8H2,1-2H3
InChIKeyLOJBRWQASPGXBR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds3

About 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol

1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol (PubChem CID 114684610) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
PubChem CID114684610
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
SMILESCCCn1nncc1C1(O)CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-3-6-15-10(9-12-13-15)11(16)4-7-14(2)8-5-11/h9,16H,3-8H2,1-2H3
InChIKeyLOJBRWQASPGXBR-UHFFFAOYSA-N
XLogP0.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
1-methyl-4-(1-propylpyrazol-4-yl)azepan-4-ol
CID 65075339
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
1-propyl-5-pyrrolidin-1-yltriazole
CID 130557576
ethane;5-methyl-1-propyltriazole
CID 164526823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol (CID 114684610) is 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol is CCCn1nncc1C1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The InChIKey is LOJBRWQASPGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-6-15-10(9-12-13-15)11(16)4-7-14(2)8-5-11/h9,16H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol has a molecular weight of 224.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 114684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).