2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid

C12H21NO3 — CID 106745187

IUPAC2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CCOCC1
InChIInChI=1S/C12H21NO3/c1-9-8-10(12(14)15)2-5-13(9)11-3-6-16-7-4-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyCFWBMOJROITMSL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid

2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid (PubChem CID 106745187) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
PubChem CID106745187
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CCOCC1
InChIInChI=1S/C12H21NO3/c1-9-8-10(12(14)15)2-5-13(9)11-3-6-16-7-4-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyCFWBMOJROITMSL-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
CID 106744745
2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744317
1-methylsulfonyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 66510031
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
1-(oxepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65080671
(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67774938
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
CID 106742878
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid (CID 106745187) is 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The InChIKey is CFWBMOJROITMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-8-10(12(14)15)2-5-13(9)11-3-6-16-7-4-11/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid?
2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106745187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).