2-methyl-2-piperidin-1-yloxane-4-carboxylic acid

C12H21NO3 — CID 175051944

IUPAC2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
SMILESCC1(N2CCCCC2)CC(C(=O)O)CCO1
InChIInChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyOTIDMQKAVWVCIA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid

2-methyl-2-piperidin-1-yloxane-4-carboxylic acid (PubChem CID 175051944) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
PubChem CID175051944
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
SMILESCC1(N2CCCCC2)CC(C(=O)O)CCO1
InChIInChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyOTIDMQKAVWVCIA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1-(2,2-dimethyloxan-4-yl)azepane-2-carboxylic acid
CID 65069518
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
CID 130642210
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
9,9-dioxo-1-oxa-9λ6-thiaspiro[5.5]undecane-4-carboxylic acid
CID 131461751
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The IUPAC name of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid (CID 175051944) is 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The canonical SMILES for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid is CC1(N2CCCCC2)CC(C(=O)O)CCO1.
What is the InChIKey of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The InChIKey is OTIDMQKAVWVCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
2-methyl-2-piperidin-1-yloxane-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid is sourced from PubChem (CID 175051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).