2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid

C15H26N4O2 — CID 154743961

IUPAC2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid
SMILESCC(C)C1(C)CCN(CCc2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)15(3)5-8-18(9-6-15)7-4-13-10-19(17-16-13)11-14(20)21/h10,12H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyBMOZJBRLUBZWKW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.66
Rot. Bonds6

About 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid

2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid (PubChem CID 154743961) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid
PubChem CID154743961
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid
SMILESCC(C)C1(C)CCN(CCc2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)15(3)5-8-18(9-6-15)7-4-13-10-19(17-16-13)11-14(20)21/h10,12H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyBMOZJBRLUBZWKW-UHFFFAOYSA-N
XLogP1.66
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
CID 136550482
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-[2-[3-(3,4-difluorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
CID 136555465
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458793
2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458673
2-[4-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458729
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
2-[4-[2-[2-(3-chlorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
CID 146135008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid (CID 154743961) is 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid is CC(C)C1(C)CCN(CCc2cn(CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid?
The InChIKey is BMOZJBRLUBZWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)15(3)5-8-18(9-6-15)7-4-13-10-19(17-16-13)11-14(20)21/h10,12H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid?
2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid has a molecular weight of 294.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 154743961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).