1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

C26H27NO3 — CID 3921814

IUPAC1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C26H27NO3/c1-30-24-15-13-22(14-16-24)25(27-17-5-8-23(18-27)26(28)29)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-16,23,25H,5,8,17-18H2,1H3,(H,28,29)
InChIKeyAORPMWZLELIZCQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.25
Rot. Bonds6

About 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 3921814) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID3921814
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C26H27NO3/c1-30-24-15-13-22(14-16-24)25(27-17-5-8-23(18-27)26(28)29)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-16,23,25H,5,8,17-18H2,1H3,(H,28,29)
InChIKeyAORPMWZLELIZCQ-UHFFFAOYSA-N
XLogP5.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4279687
1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5212471
1-[1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3951188
1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid
CID 3384349
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-[(3,4-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4272809
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3279409
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3973428
1-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4028795

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid (CID 3921814) is 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid is COc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is AORPMWZLELIZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-30-24-15-13-22(14-16-24)25(27-17-5-8-23(18-27)26(28)29)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-16,23,25H,5,8,17-18H2,1H3,(H,28,29).
What are the key properties of 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 401.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3921814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).