3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid

C18H27NO2 — CID 63161254

IUPAC3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
SMILESCCC1(CC)CCN(C(CC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2)10-12-19(13-11-18)16(14-17(20)21)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,21)
InChIKeyBGHILAIAJZVGBM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.10
Rot. Bonds6

About 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid

3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid (PubChem CID 63161254) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
PubChem CID63161254
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
SMILESCCC1(CC)CCN(C(CC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2)10-12-19(13-11-18)16(14-17(20)21)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,21)
InChIKeyBGHILAIAJZVGBM-UHFFFAOYSA-N
XLogP4.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687147
3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
CID 79687883
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 63067293
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropanoic acid
CID 63066913
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid (CID 63161254) is 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid is CCC1(CC)CCN(C(CC(=O)O)c2ccccc2)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid?
The InChIKey is BGHILAIAJZVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-18(4-2)10-12-19(13-11-18)16(14-17(20)21)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,21).
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid?
3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid has a molecular weight of 289.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 63161254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).