3-methylpiperidine-1-carboxylic acid

C7H13NO2 — CID 22047728

IUPAC3-methylpiperidine-1-carboxylic acid
SMILESCC1CCCN(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-6-3-2-4-8(5-6)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYIEFSVGIBPISLM-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.40
Rot. Bonds

About 3-methylpiperidine-1-carboxylic acid

3-methylpiperidine-1-carboxylic acid (PubChem CID 22047728) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methylpiperidine-1-carboxylic acid
PubChem CID22047728
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methylpiperidine-1-carboxylic acid
SMILESCC1CCCN(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-6-3-2-4-8(5-6)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYIEFSVGIBPISLM-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
3-methylpiperidine-1-carboxamide
CID 16786142
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
3,4-dimethyl-1,4-diazepane-1-carboxylic acid
CID 115102304
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108520535
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583

Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-1-carboxylic acid?
The IUPAC name of 3-methylpiperidine-1-carboxylic acid (CID 22047728) is 3-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-methylpiperidine-1-carboxylic acid is CC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-methylpiperidine-1-carboxylic acid?
The InChIKey is YIEFSVGIBPISLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-3-2-4-8(5-6)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-methylpiperidine-1-carboxylic acid?
3-methylpiperidine-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).