7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C17H23NO3 — CID 115511065

IUPAC7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(=O)O)(N1CCCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-21-15-6-5-13-7-8-17(16(19)20,12-14(13)11-15)18-9-3-2-4-10-18/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyOISYWZSCIIGDOJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds3

About 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 115511065) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID115511065
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(=O)O)(N1CCCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-21-15-6-5-13-7-8-17(16(19)20,12-14(13)11-15)18-9-3-2-4-10-18/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyOISYWZSCIIGDOJ-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
2-(azepan-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 115511070
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
6-methoxy-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 79371968
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 115510740

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 115511065) is 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1ccc2c(c1)CC(C(=O)O)(N1CCCCC1)CC2.
What is the InChIKey of 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is OISYWZSCIIGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-15-6-5-13-7-8-17(16(19)20,12-14(13)11-15)18-9-3-2-4-10-18/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20).
What are the key properties of 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 115511065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).