2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid

C16H21NO2 — CID 116988205

IUPAC2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(c2ccc(C3CC3C(=O)O)cc2)C1
InChIInChI=1S/C16H21NO2/c1-17-8-2-3-13(10-17)11-4-6-12(7-5-11)14-9-15(14)16(18)19/h4-7,13-15H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyMHMOTLUJHZBCDA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid

2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 116988205) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID116988205
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(c2ccc(C3CC3C(=O)O)cc2)C1
InChIInChI=1S/C16H21NO2/c1-17-8-2-3-13(10-17)11-4-6-12(7-5-11)14-9-15(14)16(18)19/h4-7,13-15H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyMHMOTLUJHZBCDA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid (CID 116988205) is 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid is CN1CCCC(c2ccc(C3CC3C(=O)O)cc2)C1.
What is the InChIKey of 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MHMOTLUJHZBCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-8-2-3-13(10-17)11-4-6-12(7-5-11)14-9-15(14)16(18)19/h4-7,13-15H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid?
2-[4-(1-methylpiperidin-3-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-3-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).