2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid

C14H27NO3 — CID 106589084

IUPAC2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-7-14(2,13(16)17)11-15-8-5-6-12(9-15)10-18-3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyOKYLHONHUBOSEI-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.24
Rot. Bonds7

About 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid (PubChem CID 106589084) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
PubChem CID106589084
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-7-14(2,13(16)17)11-15-8-5-6-12(9-15)10-18-3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyOKYLHONHUBOSEI-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 62270634
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid (CID 106589084) is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid is CCCC(C)(CN1CCCC(COC)C1)C(=O)O.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid?
The InChIKey is OKYLHONHUBOSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-7-14(2,13(16)17)11-15-8-5-6-12(9-15)10-18-3/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid?
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 106589084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).