1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid

C18H21NO3 — CID 122040364

IUPAC1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cc(CN2CCCCC2C(=O)O)cc2ccccc12
InChIInChI=1S/C18H21NO3/c1-22-17-11-13(10-14-6-2-3-7-15(14)17)12-19-9-5-4-8-16(19)18(20)21/h2-3,6-7,10-11,16H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeyIXORGLSELPKBCG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.29
Rot. Bonds4

About 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid

1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 122040364) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID122040364
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cc(CN2CCCCC2C(=O)O)cc2ccccc12
InChIInChI=1S/C18H21NO3/c1-22-17-11-13(10-14-6-2-3-7-15(14)17)12-19-9-5-4-8-16(19)18(20)21/h2-3,6-7,10-11,16H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeyIXORGLSELPKBCG-UHFFFAOYSA-N
XLogP3.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040420
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 3901427
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111
1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidine-2-carboxylic acid
CID 122040520
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid (CID 122040364) is 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid is COc1cc(CN2CCCCC2C(=O)O)cc2ccccc12.
What is the InChIKey of 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is IXORGLSELPKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-22-17-11-13(10-14-6-2-3-7-15(14)17)12-19-9-5-4-8-16(19)18(20)21/h2-3,6-7,10-11,16H,4-5,8-9,12H2,1H3,(H,20,21).
What are the key properties of 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).