1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid

C17H25NO3 — CID 63140979

IUPAC1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccccc2OC)C1
InChIInChI=1S/C17H25NO3/c1-3-9-17(16(19)20)10-6-11-18(13-17)12-14-7-4-5-8-15(14)21-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,20)
InChIKeyIPGJCPVUMNYUHC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.16
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid

1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140979) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63140979
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccccc2OC)C1
InChIInChI=1S/C17H25NO3/c1-3-9-17(16(19)20)10-6-11-18(13-17)12-14-7-4-5-8-15(14)21-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,20)
InChIKeyIPGJCPVUMNYUHC-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97146753
1-[(2-fluorophenyl)methyl]-3-[[2-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 110229392
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-[(2,4-dichlorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140602
1-[(2-chloro-4-methylphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 106865244
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 83094991
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 65068460
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid (CID 63140979) is 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(Cc2ccccc2OC)C1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is IPGJCPVUMNYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-9-17(16(19)20)10-6-11-18(13-17)12-14-7-4-5-8-15(14)21-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).