4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid

C12H21NO3 — CID 82235017

IUPAC4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
SMILESCC1CCCCN1C1(C(=O)O)CCOCC1
InChIInChI=1S/C12H21NO3/c1-10-4-2-3-7-13(10)12(11(14)15)5-8-16-9-6-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKNTIUEPHOAWBAP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid

4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid (PubChem CID 82235017) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
PubChem CID82235017
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
SMILESCC1CCCCN1C1(C(=O)O)CCOCC1
InChIInChI=1S/C12H21NO3/c1-10-4-2-3-7-13(10)12(11(14)15)5-8-16-9-6-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKNTIUEPHOAWBAP-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994673
1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994693
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 164655461
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
4-[(2-methylazetidin-1-yl)methyl]oxane-4-carboxylic acid
CID 115440671
3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 64745091
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271543

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid (CID 82235017) is 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid is CC1CCCCN1C1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid?
The InChIKey is KNTIUEPHOAWBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-4-2-3-7-13(10)12(11(14)15)5-8-16-9-6-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid?
4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 82235017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).