1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid

C22H27NO2 — CID 4011103

IUPAC1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2ccc(C)cc2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C22H27NO2/c1-3-17-9-13-19(14-10-17)21(18-11-7-16(2)8-12-18)23-15-5-4-6-20(23)22(24)25/h7-14,20-21H,3-6,15H2,1-2H3,(H,24,25)
InChIKeyNGEOHFSGSWYUPV-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.59
Rot. Bonds5

About 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid

1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4011103) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4011103
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2ccc(C)cc2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C22H27NO2/c1-3-17-9-13-19(14-10-17)21(18-11-7-16(2)8-12-18)23-15-5-4-6-20(23)22(24)25/h7-14,20-21H,3-6,15H2,1-2H3,(H,24,25)
InChIKeyNGEOHFSGSWYUPV-UHFFFAOYSA-N
XLogP4.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(4-ethylphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4307687
1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid
CID 5134803
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3427116
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(5-bromo-2-ethoxyphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3943198
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[(5-ethylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4023938

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 4011103) is 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid is CCc1ccc(C(c2ccc(C)cc2)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is NGEOHFSGSWYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-17-9-13-19(14-10-17)21(18-11-7-16(2)8-12-18)23-15-5-4-6-20(23)22(24)25/h7-14,20-21H,3-6,15H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 337.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4011103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).