2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid

C16H21NO2 — CID 116988137

IUPAC2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(c2ccc(C3CC3C(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO2/c1-17-8-6-12(7-9-17)11-2-4-13(5-3-11)14-10-15(14)16(18)19/h2-5,12,14-15H,6-10H2,1H3,(H,18,19)
InChIKeyMYMRQPKKPYXSJL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid

2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 116988137) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID116988137
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(c2ccc(C3CC3C(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO2/c1-17-8-6-12(7-9-17)11-2-4-13(5-3-11)14-10-15(14)16(18)19/h2-5,12,14-15H,6-10H2,1H3,(H,18,19)
InChIKeyMYMRQPKKPYXSJL-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988205
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116889343
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-[[5-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]amino]cyclopropane-1-carboxylic acid
CID 116975328
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid (CID 116988137) is 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid is CN1CCC(c2ccc(C3CC3C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MYMRQPKKPYXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-8-6-12(7-9-17)11-2-4-13(5-3-11)14-10-15(14)16(18)19/h2-5,12,14-15H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid?
2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).