1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid

C18H25NO2 — CID 117463982

IUPAC1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(N2CCCC2)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-14-7-8-16(19-11-5-6-12-19)15(13-14)18(17(20)21)9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3,(H,20,21)
InChIKeyDEDCADVVDOGHEH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.88
Rot. Bonds3

About 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid

1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117463982) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117463982
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(N2CCCC2)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-14-7-8-16(19-11-5-6-12-19)15(13-14)18(17(20)21)9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3,(H,20,21)
InChIKeyDEDCADVVDOGHEH-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117444326
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117490712
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid (CID 117463982) is 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(N2CCCC2)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is DEDCADVVDOGHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-7-8-16(19-11-5-6-12-19)15(13-14)18(17(20)21)9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3,(H,20,21).
What are the key properties of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid?
1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117463982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).