1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid

C22H27NO3 — CID 4664073

IUPAC1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1cccc(OCc2ccccc2)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27NO3/c1-2-21(23-13-11-18(12-14-23)22(24)25)19-9-6-10-20(15-19)26-16-17-7-4-3-5-8-17/h3-10,15,18,21H,2,11-14,16H2,1H3,(H,24,25)
InChIKeyPOURNVYMDALRMA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.51
Rot. Bonds7

About 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid

1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid (PubChem CID 4664073) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
PubChem CID4664073
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1cccc(OCc2ccccc2)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27NO3/c1-2-21(23-13-11-18(12-14-23)22(24)25)19-9-6-10-20(15-19)26-16-17-7-4-3-5-8-17/h3-10,15,18,21H,2,11-14,16H2,1H3,(H,24,25)
InChIKeyPOURNVYMDALRMA-UHFFFAOYSA-N
XLogP4.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3676812
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3895314
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-[[4-(dimethylamino)phenyl]-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5038797
N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine
CID 71495680
1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3643128
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid (CID 4664073) is 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid is CCC(c1cccc(OCc2ccccc2)c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is POURNVYMDALRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-21(23-13-11-18(12-14-23)22(24)25)19-9-6-10-20(15-19)26-16-17-7-4-3-5-8-17/h3-10,15,18,21H,2,11-14,16H2,1H3,(H,24,25).
What are the key properties of 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid?
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid has a molecular weight of 353.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4664073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).