3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid

C17H25NO2 — CID 65062535

IUPAC3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
SMILESCC(CN1CCCCC1CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(15-7-3-2-4-8-15)13-18-12-6-5-9-16(18)10-11-17(19)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyLVVYEFPCCKBXBI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.51
Rot. Bonds6

About 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid

3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid (PubChem CID 65062535) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
PubChem CID65062535
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
SMILESCC(CN1CCCCC1CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(15-7-3-2-4-8-15)13-18-12-6-5-9-16(18)10-11-17(19)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyLVVYEFPCCKBXBI-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 64772222
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid (CID 65062535) is 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid is CC(CN1CCCCC1CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid?
The InChIKey is LVVYEFPCCKBXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(15-7-3-2-4-8-15)13-18-12-6-5-9-16(18)10-11-17(19)20/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid?
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).