1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid

C19H23NO4 — CID 166293062

IUPAC1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cc2ccc(CN3CCC(C(=O)O)CC3)cc2cc1OC
InChIInChI=1S/C19H23NO4/c1-23-17-10-15-4-3-13(9-16(15)11-18(17)24-2)12-20-7-5-14(6-8-20)19(21)22/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,21,22)
InChIKeyFAZMSNATNZIJEY-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.15
Rot. Bonds5

About 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid

1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 166293062) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID166293062
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cc2ccc(CN3CCC(C(=O)O)CC3)cc2cc1OC
InChIInChI=1S/C19H23NO4/c1-23-17-10-15-4-3-13(9-16(15)11-18(17)24-2)12-20-7-5-14(6-8-20)19(21)22/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,21,22)
InChIKeyFAZMSNATNZIJEY-UHFFFAOYSA-N
XLogP3.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-heptoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 54848223
1-[(4-methoxy-3-nitrophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906663
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 144687726
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
1-[[6-[3-(4-chlorophenyl)propoxy]naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66853150
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852965
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid (CID 166293062) is 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid is COc1cc2ccc(CN3CCC(C(=O)O)CC3)cc2cc1OC.
What is the InChIKey of 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is FAZMSNATNZIJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-23-17-10-15-4-3-13(9-16(15)11-18(17)24-2)12-20-7-5-14(6-8-20)19(21)22/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,21,22).
What are the key properties of 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid?
1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 166293062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).