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

C24H31NO3 — CID 4588574

IUPAC1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1cccc(OCc2ccccc2)c1)N1CCCCC1C(=O)O
InChIInChI=1S/C24H31NO3/c1-2-3-14-22(25-16-8-7-15-23(25)24(26)27)20-12-9-13-21(17-20)28-18-19-10-5-4-6-11-19/h4-6,9-13,17,22-23H,2-3,7-8,14-16,18H2,1H3,(H,26,27)
InChIKeyGAQJVGRWYBABDR-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.44
Rot. Bonds9

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

1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid (PubChem CID 4588574) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
PubChem CID4588574
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1cccc(OCc2ccccc2)c1)N1CCCCC1C(=O)O
InChIInChI=1S/C24H31NO3/c1-2-3-14-22(25-16-8-7-15-23(25)24(26)27)20-12-9-13-21(17-20)28-18-19-10-5-4-6-11-19/h4-6,9-13,17,22-23H,2-3,7-8,14-16,18H2,1H3,(H,26,27)
InChIKeyGAQJVGRWYBABDR-UHFFFAOYSA-N
XLogP5.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3911315
1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3644100
1-[(3-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4011460
1-[1-benzothiophen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5133728
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4291092
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3971301
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid (CID 4588574) is 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid is CCCCC(c1cccc(OCc2ccccc2)c1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid?
The InChIKey is GAQJVGRWYBABDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-3-14-22(25-16-8-7-15-23(25)24(26)27)20-12-9-13-21(17-20)28-18-19-10-5-4-6-11-19/h4-6,9-13,17,22-23H,2-3,7-8,14-16,18H2,1H3,(H,26,27).
What are the key properties of 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid?
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4588574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).