1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one

C12H20N4O — CID 107043029

IUPAC1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1cn(C)nn1
InChIInChI=1S/C12H20N4O/c1-10(17)7-12-5-3-4-6-16(12)9-11-8-15(2)14-13-11/h8,12H,3-7,9H2,1-2H3
InChIKeyJPIGYCQLHKJYEV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.15
Rot. Bonds4

About 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one

1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one (PubChem CID 107043029) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
PubChem CID107043029
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1cn(C)nn1
InChIInChI=1S/C12H20N4O/c1-10(17)7-12-5-3-4-6-16(12)9-11-8-15(2)14-13-11/h8,12H,3-7,9H2,1-2H3
InChIKeyJPIGYCQLHKJYEV-UHFFFAOYSA-N
XLogP1.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107053958
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
CID 79535895
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-one
CID 79560603
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one (CID 107043029) is 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1Cc1cn(C)nn1.
What is the InChIKey of 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The InChIKey is JPIGYCQLHKJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(17)7-12-5-3-4-6-16(12)9-11-8-15(2)14-13-11/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one has a molecular weight of 236.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 107043029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).