1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid

C13H23NO2 — CID 80699258

IUPAC1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
SMILESCC1(C)CCC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2)6-3-11(9-13)14-7-4-10(5-8-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyCONCQDHWDMTCRD-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid

1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid (PubChem CID 80699258) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
PubChem CID80699258
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
SMILESCC1(C)CCC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2)6-3-11(9-13)14-7-4-10(5-8-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyCONCQDHWDMTCRD-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 80699838
[1-(3,3-dimethylcyclopentyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 154564551
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
1-(3,3-dimethylcyclopentyl)-N,4-dimethylpiperidin-4-amine
CID 115304134
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 79863529
1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid (CID 80699258) is 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid is CC1(C)CCC(N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The InChIKey is CONCQDHWDMTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)6-3-11(9-13)14-7-4-10(5-8-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid?
1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 80699258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).