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

Meperidine
CID 4058
Meperidine Hydrochloride
CID 5750
Properidine
CID 62373
Meperidine acid
CID 101106
3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate
CID 200102
2-Methyl-2-(4-(2-methyl-3-(piperidin-1-yl)propyl)phenyl)propanoic acid
CID 137949073
Fenpropimorphic acid
CID 71316735
Pentapiperide
CID 110942
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-phenylpropanoate
CID 24758141
2-Piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 2905562
Cyclopentanecarboxylic acid, 1-phenyl-, 2-piperidinoethyl ester
CID 212328
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728

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).