3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid

C17H23NO2 — CID 79978018

IUPAC3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(C2CC2)cc1)N1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)12-16(18-10-2-1-3-11-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,1-5,10-12H2,(H,19,20)
InChIKeyHZDZKGFBCVIIRF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.57
Rot. Bonds5

About 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid

3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 79978018) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID79978018
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(C2CC2)cc1)N1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)12-16(18-10-2-1-3-11-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,1-5,10-12H2,(H,19,20)
InChIKeyHZDZKGFBCVIIRF-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
CID 79984707
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
(2S)-2-(4-cyclopropylphenyl)butanedioic acid
CID 799527
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
3-(azepan-1-yl)-3-(4-bromo-3-methylphenyl)propanoic acid
CID 66480513
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid (CID 79978018) is 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid is O=C(O)CC(c1ccc(C2CC2)cc1)N1CCCCC1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is HZDZKGFBCVIIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)12-16(18-10-2-1-3-11-18)15-8-6-14(7-9-15)13-4-5-13/h6-9,13,16H,1-5,10-12H2,(H,19,20).
What are the key properties of 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid?
3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 79978018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).