4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid

C13H24N2O3 — CID 156503600

IUPAC4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid
SMILESCC1COCC(C)N1CC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-8-18-9-11(2)15(10)7-12-3-5-14(6-4-12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWTYZLXPPGJFKL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.49
Rot. Bonds2

About 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid

4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 156503600) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid
PubChem CID156503600
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid
SMILESCC1COCC(C)N1CC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-8-18-9-11(2)15(10)7-12-3-5-14(6-4-12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWTYZLXPPGJFKL-UHFFFAOYSA-N
XLogP1.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid (CID 156503600) is 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid is CC1COCC(C)N1CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is CWTYZLXPPGJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-8-18-9-11(2)15(10)7-12-3-5-14(6-4-12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid?
4-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 256.35 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-[(3,5-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 156503600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).