5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid

C14H27NO3 — CID 102968597

IUPAC5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
SMILESCOC1CN(CCCC(C)(C)C(=O)O)CCC1C
InChIInChI=1S/C14H27NO3/c1-11-6-9-15(10-12(11)18-4)8-5-7-14(2,3)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyXYQMUHGNISZJJO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.23
Rot. Bonds6

About 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid

5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid (PubChem CID 102968597) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
PubChem CID102968597
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
SMILESCOC1CN(CCCC(C)(C)C(=O)O)CCC1C
InChIInChI=1S/C14H27NO3/c1-11-6-9-15(10-12(11)18-4)8-5-7-14(2,3)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyXYQMUHGNISZJJO-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 5-methoxy-1-methylpiperidine-3-carboxylate
CID 13517196
2-[1-(Oxiran-2-ylmethyl)piperidin-4-yl]acetic acid
CID 176431689
1-(2-Methoxyethyl)piperidine-3-carboxylic acid
CID 23004724
(3R)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440264
2-[1-[(2-Propan-2-ylmorpholin-4-yl)methyl]cyclopropyl]acetic acid
CID 58469110
(2S)-2-methyl-5-morpholin-4-ylpentanoic acid
CID 59979127
1-(2-Hydroxypropyl)piperidine-3-carboxylic acid
CID 60885405
1-(2-Methoxyethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136558
2-[1-[(2-Methylmorpholin-4-yl)methyl]cyclopropyl]acetic acid
CID 65495674
1-(2-Hydroxy-3-methylbutyl)piperidine-3-carboxylic acid
CID 68191967
2-[1-[[(2S)-2-methylmorpholin-4-yl]methyl]cyclopropyl]acetic acid
CID 68220687
Methyl 5-hydroxy-1-methylpiperidine-3-carboxylate
CID 82254059

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid (CID 102968597) is 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid is COC1CN(CCCC(C)(C)C(=O)O)CCC1C.
What is the InChIKey of 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid?
The InChIKey is XYQMUHGNISZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11-6-9-15(10-12(11)18-4)8-5-7-14(2,3)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid?
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 102968597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).