4-methyl-1-propylpiperidine-4-carboxylic acid

C10H19NO2 — CID 23389278

IUPAC4-methyl-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-4-10(2,5-8-11)9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyXJJJMBHJUJBHJH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 4-methyl-1-propylpiperidine-4-carboxylic acid

4-methyl-1-propylpiperidine-4-carboxylic acid (PubChem CID 23389278) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-1-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-propylpiperidine-4-carboxylic acid
PubChem CID23389278
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-4-10(2,5-8-11)9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyXJJJMBHJUJBHJH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
1-[2-(dipropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125080
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-propylpiperidine-4-carboxylic acid (CID 23389278) is 4-methyl-1-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-propylpiperidine-4-carboxylic acid is CCCN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-propylpiperidine-4-carboxylic acid?
The InChIKey is XJJJMBHJUJBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-6-11-7-4-10(2,5-8-11)9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-1-propylpiperidine-4-carboxylic acid?
4-methyl-1-propylpiperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 23389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).