3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid

C12H23NO3 — CID 172705786

IUPAC3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C(O)CC1CCCN(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-12(2,3)10(14)7-9-5-4-6-13(8-9)11(15)16/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyDOJQIWSROMKCCD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.17
Rot. Bonds2

About 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid

3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid (PubChem CID 172705786) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid
PubChem CID172705786
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C(O)CC1CCCN(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-12(2,3)10(14)7-9-5-4-6-13(8-9)11(15)16/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyDOJQIWSROMKCCD-UHFFFAOYSA-N
XLogP2.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
3-[(2-methylpropan-2-yl)oxy]-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-3-oxopropanoic acid
CID 175245735
(2S)-2-amino-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 27281827
3-methylpiperidine-1-carboxylic acid
CID 22047728
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid (CID 172705786) is 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid is CC(C)(C)C(O)CC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid?
The InChIKey is DOJQIWSROMKCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)10(14)7-9-5-4-6-13(8-9)11(15)16/h9-10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid?
3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 172705786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).