2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid

C13H23NO2 — CID 117013254

IUPAC2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
SMILESCC1(CC(=O)O)CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(10-12(15)16)6-8-14(9-7-13)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyIMJAXCJSDBNSJR-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid

2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid (PubChem CID 117013254) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
PubChem CID117013254
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
SMILESCC1(CC(=O)O)CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(10-12(15)16)6-8-14(9-7-13)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyIMJAXCJSDBNSJR-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025539
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-cyclopentyl-4-methylazepan-4-ol
CID 107408390
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
CID 105466778
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid (CID 117013254) is 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid is CC1(CC(=O)O)CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid?
The InChIKey is IMJAXCJSDBNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(10-12(15)16)6-8-14(9-7-13)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid?
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 117013254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).