3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid

C12H24N2O2 — CID 79621409

IUPAC3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(CCN)CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)16)9-14-7-4-10(3-6-13)5-8-14/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyFMKCOCOGXWCVGC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds5

About 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 79621409) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID79621409
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(CCN)CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)16)9-14-7-4-10(3-6-13)5-8-14/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyFMKCOCOGXWCVGC-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
2,2-dimethyl-3-thiomorpholin-4-ylpropanoic acid
CID 59815681
4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
CID 130558045
benzyl 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanoate;hydrochloride
CID 68584094
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820487

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 79621409) is 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(CCN)CC1)C(=O)O.
What is the InChIKey of 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is FMKCOCOGXWCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,11(15)16)9-14-7-4-10(3-6-13)5-8-14/h10H,3-9,13H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).