2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid

C17H23NO3 — CID 117467649

IUPAC2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
SMILESCN1CCCC(Oc2ccc(C3(CC(=O)O)CC3)cc2)C1
InChIInChI=1S/C17H23NO3/c1-18-10-2-3-15(12-18)21-14-6-4-13(5-7-14)17(8-9-17)11-16(19)20/h4-7,15H,2-3,8-12H2,1H3,(H,19,20)
InChIKeySFBDUPPGEHHXOV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds5

About 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid

2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid (PubChem CID 117467649) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
PubChem CID117467649
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
SMILESCN1CCCC(Oc2ccc(C3(CC(=O)O)CC3)cc2)C1
InChIInChI=1S/C17H23NO3/c1-18-10-2-3-15(12-18)21-14-6-4-13(5-7-14)17(8-9-17)11-16(19)20/h4-7,15H,2-3,8-12H2,1H3,(H,19,20)
InChIKeySFBDUPPGEHHXOV-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117470826
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438916
1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
CID 117438903
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid (CID 117467649) is 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid is CN1CCCC(Oc2ccc(C3(CC(=O)O)CC3)cc2)C1.
What is the InChIKey of 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid?
The InChIKey is SFBDUPPGEHHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-10-2-3-15(12-18)21-14-6-4-13(5-7-14)17(8-9-17)11-16(19)20/h4-7,15H,2-3,8-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid?
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117467649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).