3,3-dimethyl-2-piperidin-4-ylpentanoic acid

C12H23NO2 — CID 123184489

IUPAC3,3-dimethyl-2-piperidin-4-ylpentanoic acid
SMILESCCC(C)(C)C(C(=O)O)C1CCNCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)10(11(14)15)9-5-7-13-8-6-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCICUCLVNEBYFLG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.12
Rot. Bonds4

About 3,3-dimethyl-2-piperidin-4-ylpentanoic acid

3,3-dimethyl-2-piperidin-4-ylpentanoic acid (PubChem CID 123184489) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-piperidin-4-ylpentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-piperidin-4-ylpentanoic acid
PubChem CID123184489
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,3-dimethyl-2-piperidin-4-ylpentanoic acid
SMILESCCC(C)(C)C(C(=O)O)C1CCNCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)10(11(14)15)9-5-7-13-8-6-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCICUCLVNEBYFLG-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 126511715
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
(2-bromo-2-piperidin-4-ylacetyl) 2,2-dimethylpropanoate
CID 174528779
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
CID 69483125
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
N-(1-piperidin-4-ylpropyl)butanamide;2,2,2-trifluoroacetic acid
CID 175198477

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-piperidin-4-ylpentanoic acid?
The IUPAC name of 3,3-dimethyl-2-piperidin-4-ylpentanoic acid (CID 123184489) is 3,3-dimethyl-2-piperidin-4-ylpentanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-piperidin-4-ylpentanoic acid?
The canonical SMILES for 3,3-dimethyl-2-piperidin-4-ylpentanoic acid is CCC(C)(C)C(C(=O)O)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-2-piperidin-4-ylpentanoic acid?
The InChIKey is CICUCLVNEBYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(2,3)10(11(14)15)9-5-7-13-8-6-9/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-2-piperidin-4-ylpentanoic acid?
3,3-dimethyl-2-piperidin-4-ylpentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-piperidin-4-ylpentanoic acid is sourced from PubChem (CID 123184489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).