1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid

C18H25NO2 — CID 117463978

IUPAC1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(c2ccc(C3(C(=O)O)CCCC3)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-19-12-8-15(9-13-19)14-4-6-16(7-5-14)18(17(20)21)10-2-3-11-18/h4-7,15H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyLYSQGLRITLBNQS-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.39
Rot. Bonds3

About 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117463978) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117463978
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(c2ccc(C3(C(=O)O)CCCC3)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-19-12-8-15(9-13-19)14-4-6-16(7-5-14)18(17(20)21)10-2-3-11-18/h4-7,15H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyLYSQGLRITLBNQS-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436357
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117405018
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988137
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 3076324
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
(3aR,7aS)-5-methyl-2-(1-phenylcyclopentanecarbonyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 133132633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117463978) is 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid is CN1CCC(c2ccc(C3(C(=O)O)CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is LYSQGLRITLBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-12-8-15(9-13-19)14-4-6-16(7-5-14)18(17(20)21)10-2-3-11-18/h4-7,15H,2-3,8-13H2,1H3,(H,20,21).
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).