3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid

C18H27NO2 — CID 65062576

IUPAC3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCC(CCc1ccccc1)N1CCCCC1CCC(=O)O
InChIInChI=1S/C18H27NO2/c1-15(10-11-16-7-3-2-4-8-16)19-14-6-5-9-17(19)12-13-18(20)21/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,20,21)
InChIKeyYOYDSLXGGYRQEM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.73
Rot. Bonds7

About 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid

3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid (PubChem CID 65062576) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
PubChem CID65062576
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCC(CCc1ccccc1)N1CCCCC1CCC(=O)O
InChIInChI=1S/C18H27NO2/c1-15(10-11-16-7-3-2-4-8-16)19-14-6-5-9-17(19)12-13-18(20)21/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,20,21)
InChIKeyYOYDSLXGGYRQEM-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
CID 65062430
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
CID 63249276
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958
3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
CID 65062434
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid (CID 65062576) is 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid is CC(CCc1ccccc1)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid?
The InChIKey is YOYDSLXGGYRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15(10-11-16-7-3-2-4-8-16)19-14-6-5-9-17(19)12-13-18(20)21/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,20,21).
What are the key properties of 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid?
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65062576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).