4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid

C15H21NO2 — CID 69023524

IUPAC4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CCCc2ccccn2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)13-9-7-12(8-10-13)4-3-6-14-5-1-2-11-16-14/h1-2,5,11-13H,3-4,6-10H2,(H,17,18)
InChIKeyRSWRVCWSUKKOMU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds5

About 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid

4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid (PubChem CID 69023524) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
PubChem CID69023524
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CCCc2ccccn2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)13-9-7-12(8-10-13)4-3-6-14-5-1-2-11-16-14/h1-2,5,11-13H,3-4,6-10H2,(H,17,18)
InChIKeyRSWRVCWSUKKOMU-UHFFFAOYSA-N
XLogP3.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid (CID 69023524) is 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CCCc2ccccn2)CC1.
What is the InChIKey of 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid?
The InChIKey is RSWRVCWSUKKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)13-9-7-12(8-10-13)4-3-6-14-5-1-2-11-16-14/h1-2,5,11-13H,3-4,6-10H2,(H,17,18).
What are the key properties of 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid?
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69023524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).