1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid

C17H25NO4 — CID 4559409

IUPAC1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1cc(OC)ccc1OC)N1CCCCC1C(=O)O
InChIInChI=1S/C17H25NO4/c1-4-14(18-10-6-5-7-15(18)17(19)20)13-11-12(21-2)8-9-16(13)22-3/h8-9,11,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeySZFWHAUESBOURK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.09
Rot. Bonds6

About 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid

1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid (PubChem CID 4559409) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
PubChem CID4559409
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1cc(OC)ccc1OC)N1CCCCC1C(=O)O
InChIInChI=1S/C17H25NO4/c1-4-14(18-10-6-5-7-15(18)17(19)20)13-11-12(21-2)8-9-16(13)22-3/h8-9,11,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeySZFWHAUESBOURK-UHFFFAOYSA-N
XLogP3.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3961449
1-[1-(5-fluoro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4640859
1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3323628
1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3945279
1-[(5-bromo-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3686880
1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3934510
1-[(2,5-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4291328
1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4299590
1-[(2,5-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-2-carboxylic acid
CID 5040339
1-[(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 4272762
1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5033524
1-[(2,5-dimethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 4027240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid (CID 4559409) is 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid is CCC(c1cc(OC)ccc1OC)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid?
The InChIKey is SZFWHAUESBOURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-14(18-10-6-5-7-15(18)17(19)20)13-11-12(21-2)8-9-16(13)22-3/h8-9,11,14-15H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid?
1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4559409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).