5-methyl-1-propylpiperidine-3-carboxylic acid

C10H19NO2 — CID 130942470

IUPAC5-methyl-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-4-11-6-8(2)5-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJDFGFQNOTHMNFN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About 5-methyl-1-propylpiperidine-3-carboxylic acid

5-methyl-1-propylpiperidine-3-carboxylic acid (PubChem CID 130942470) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-methyl-1-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-propylpiperidine-3-carboxylic acid
PubChem CID130942470
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-methyl-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-4-11-6-8(2)5-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJDFGFQNOTHMNFN-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-ynyl-5-methylpiperidine-3-carboxylic acid
CID 130804536
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125261
3-chloro-5-methyl-1-propylpiperidine
CID 131151056
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
CID 122121229
2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
CID 178037156
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
5-methyl-1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxylic acid
CID 122121289
1-[3-(3,4-dimethylphenoxy)propyl]-5-methylpiperidine-3-carboxylic acid
CID 122121422

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propylpiperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-propylpiperidine-3-carboxylic acid (CID 130942470) is 5-methyl-1-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-propylpiperidine-3-carboxylic acid is CCCN1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-propylpiperidine-3-carboxylic acid?
The InChIKey is JDFGFQNOTHMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-11-6-8(2)5-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-1-propylpiperidine-3-carboxylic acid?
5-methyl-1-propylpiperidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130942470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).