1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

C26H27NO3 — CID 4267257

IUPAC1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccccc2)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C26H27NO3/c28-26(29)22-14-9-17-27(18-22)25(21-12-5-2-6-13-21)23-15-7-8-16-24(23)30-19-20-10-3-1-4-11-20/h1-8,10-13,15-16,22,25H,9,14,17-19H2,(H,28,29)
InChIKeyONGVTPKUJJQVRA-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.15
Rot. Bonds7

About 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 4267257) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID4267257
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccccc2)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C26H27NO3/c28-26(29)22-14-9-17-27(18-22)25(21-12-5-2-6-13-21)23-15-7-8-16-24(23)30-19-20-10-3-1-4-11-20/h1-8,10-13,15-16,22,25H,9,14,17-19H2,(H,28,29)
InChIKeyONGVTPKUJJQVRA-UHFFFAOYSA-N
XLogP5.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3279409
1-[(2-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3420287
1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5023172
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3874488
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4211457
1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 4992968
1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5135598
1-[(2,3-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4992513
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4566862

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid (CID 4267257) is 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2ccccc2)c2ccccc2OCc2ccccc2)C1.
What is the InChIKey of 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ONGVTPKUJJQVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c28-26(29)22-14-9-17-27(18-22)25(21-12-5-2-6-13-21)23-15-7-8-16-24(23)30-19-20-10-3-1-4-11-20/h1-8,10-13,15-16,22,25H,9,14,17-19H2,(H,28,29).
What are the key properties of 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid?
1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 401.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).