2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid

C13H25NO2 — CID 62271022

IUPAC2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H25NO2/c1-4-5-11-6-8-14(9-7-11)10-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyNQDBWPGKBMDLMZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid

2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid (PubChem CID 62271022) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
PubChem CID62271022
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H25NO2/c1-4-5-11-6-8-14(9-7-11)10-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyNQDBWPGKBMDLMZ-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79621409
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
CID 63927012
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820487
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid (CID 62271022) is 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid is CCCC1CCN(CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid?
The InChIKey is NQDBWPGKBMDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-11-6-8-14(9-7-11)10-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid?
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 62271022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).