1-(3-methylbutyl)piperidine-4-carboxylic acid

C11H21NO2 — CID 16768987

IUPAC1-(3-methylbutyl)piperidine-4-carboxylic acid
SMILESCC(C)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)3-6-12-7-4-10(5-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyDJYVXBZDVJMYRP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 1-(3-methylbutyl)piperidine-4-carboxylic acid

1-(3-methylbutyl)piperidine-4-carboxylic acid (PubChem CID 16768987) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutyl)piperidine-4-carboxylic acid
PubChem CID16768987
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-methylbutyl)piperidine-4-carboxylic acid
SMILESCC(C)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)3-6-12-7-4-10(5-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyDJYVXBZDVJMYRP-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylbutyl)piperidine-4-carboxylic acid (CID 16768987) is 1-(3-methylbutyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylbutyl)piperidine-4-carboxylic acid is CC(C)CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-methylbutyl)piperidine-4-carboxylic acid?
The InChIKey is DJYVXBZDVJMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)3-6-12-7-4-10(5-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-methylbutyl)piperidine-4-carboxylic acid?
1-(3-methylbutyl)piperidine-4-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16768987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).