1-pentan-3-ylpiperidine-4-carboxylic acid

C11H21NO2 — CID 65056092

IUPAC1-pentan-3-ylpiperidine-4-carboxylic acid
SMILESCCC(CC)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-10(4-2)12-7-5-9(6-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNGFSHBCPORJGEM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 1-pentan-3-ylpiperidine-4-carboxylic acid

1-pentan-3-ylpiperidine-4-carboxylic acid (PubChem CID 65056092) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-pentan-3-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pentan-3-ylpiperidine-4-carboxylic acid
PubChem CID65056092
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-pentan-3-ylpiperidine-4-carboxylic acid
SMILESCCC(CC)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-10(4-2)12-7-5-9(6-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNGFSHBCPORJGEM-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

Butyric acid, 4-piperidino-
CID 20794
1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Methylpiperidine-4-carboxylic acid
CID 2736939
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-(Cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride
CID 17221488
Methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
CID 43392874
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pentan-3-ylpiperidine-4-carboxylic acid (CID 65056092) is 1-pentan-3-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pentan-3-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pentan-3-ylpiperidine-4-carboxylic acid is CCC(CC)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-pentan-3-ylpiperidine-4-carboxylic acid?
The InChIKey is NGFSHBCPORJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(4-2)12-7-5-9(6-8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-pentan-3-ylpiperidine-4-carboxylic acid?
1-pentan-3-ylpiperidine-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-pentan-3-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65056092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).