2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid

C23H29NO2 — CID 70474069

IUPAC2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
SMILESCCc1ccccc1C(CCN1CCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-2-19-11-7-8-14-21(19)23(22(25)26,20-12-5-3-6-13-20)15-18-24-16-9-4-10-17-24/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3,(H,25,26)
InChIKeyBJPBTNRMHAMKFJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.50
Rot. Bonds7

About 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid

2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid (PubChem CID 70474069) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
PubChem CID70474069
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
SMILESCCc1ccccc1C(CCN1CCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-2-19-11-7-8-14-21(19)23(22(25)26,20-12-5-3-6-13-20)15-18-24-16-9-4-10-17-24/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3,(H,25,26)
InChIKeyBJPBTNRMHAMKFJ-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
1-benzhydryl-4-methylpiperazine;4,4-diphenyl-6-piperidin-1-ylhexan-3-one;hydron;dichloride
CID 50987092
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid (CID 70474069) is 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid is CCc1ccccc1C(CCN1CCCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid?
The InChIKey is BJPBTNRMHAMKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-19-11-7-8-14-21(19)23(22(25)26,20-12-5-3-6-13-20)15-18-24-16-9-4-10-17-24/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3,(H,25,26).
What are the key properties of 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid?
2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid has a molecular weight of 351.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 70474069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).