2-propan-2-ylpiperidine-4-carboxylic acid

C9H17NO2 — CID 82412056

IUPAC2-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)CCN1
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-7(9(11)12)3-4-10-8/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyFIEOCPVKSCWWIE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds2

About 2-propan-2-ylpiperidine-4-carboxylic acid

2-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 82412056) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID82412056
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)CCN1
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-7(9(11)12)3-4-10-8/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyFIEOCPVKSCWWIE-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
4-fluoro-2-propan-2-ylpiperidine
CID 84762912
2-[4-(dihydroxymethyl)piperidin-2-yl]piperidine-4-carboxylic acid
CID 59876081
4-fluoro-2-propan-2-ylpiperidine;hydrochloride
CID 115016067
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124547925
2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
CID 71756318
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylic acid
CID 83816131
2-propan-2-yl-4-(trifluoromethyl)piperidine
CID 66330096

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-ylpiperidine-4-carboxylic acid (CID 82412056) is 2-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-ylpiperidine-4-carboxylic acid is CC(C)C1CC(C(=O)O)CCN1.
What is the InChIKey of 2-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is FIEOCPVKSCWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8-5-7(9(11)12)3-4-10-8/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-ylpiperidine-4-carboxylic acid?
2-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 82412056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).