4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid

C9H17NO3 — CID 151002782

IUPAC4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
SMILESCC1CC(CCO)CCN1C(=O)O
InChIInChI=1S/C9H17NO3/c1-7-6-8(3-5-11)2-4-10(7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyLULQPEZGTHQOHN-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.15
Rot. Bonds2

About 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid

4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid (PubChem CID 151002782) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
PubChem CID151002782
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
SMILESCC1CC(CCO)CCN1C(=O)O
InChIInChI=1S/C9H17NO3/c1-7-6-8(3-5-11)2-4-10(7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyLULQPEZGTHQOHN-UHFFFAOYSA-N
XLogP1.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylic acid
CID 174173440
tert-butyl 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylate;tert-butyl 4-(2-methoxyethyl)-2-methylpiperidine-1-carboxylate;iodomethane;methane
CID 158098307
4-formyl-2-methylpiperidine-1-carboxylic acid
CID 174419817
2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol
CID 142633114
4-[3-(3-bromo-2-methylphenoxy)propyl]-2-methylpiperidine-1-carboxylic acid
CID 170322242
ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate
CID 54403674
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 175187897
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62332210
2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
CID 129275253

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid (CID 151002782) is 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid is CC1CC(CCO)CCN1C(=O)O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid?
The InChIKey is LULQPEZGTHQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-6-8(3-5-11)2-4-10(7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid?
4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 151002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).