1-butyl-4-methylpiperidine-4-carboxylic acid

C11H21NO2 — CID 63124911

IUPAC1-butyl-4-methylpiperidine-4-carboxylic acid
SMILESCCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-4-7-12-8-5-11(2,6-9-12)10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyVNTOAWXSBSNQOO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 1-butyl-4-methylpiperidine-4-carboxylic acid

1-butyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124911) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-butyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-4-methylpiperidine-4-carboxylic acid
PubChem CID63124911
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-butyl-4-methylpiperidine-4-carboxylic acid
SMILESCCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-4-7-12-8-5-11(2,6-9-12)10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyVNTOAWXSBSNQOO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
1-hexyl-4,4-dimethylpiperidine
CID 18722930

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butyl-4-methylpiperidine-4-carboxylic acid (CID 63124911) is 1-butyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butyl-4-methylpiperidine-4-carboxylic acid is CCCCN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-butyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VNTOAWXSBSNQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-7-12-8-5-11(2,6-9-12)10(13)14/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 1-butyl-4-methylpiperidine-4-carboxylic acid?
1-butyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).