3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid

C17H23NO2 — CID 65069110

IUPAC3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C17H23NO2/c1-17(16(19)20)10-5-11-18(12-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,20)
InChIKeyYTODHTMNOVGIKT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds2

About 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid

3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid (PubChem CID 65069110) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
PubChem CID65069110
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C17H23NO2/c1-17(16(19)20)10-5-11-18(12-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,20)
InChIKeyYTODHTMNOVGIKT-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113315450
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 120772403
(3R)-1-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyrrolidine-3-carboxylic acid
CID 129469360
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
2-ethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 83063730
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64952967
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid (CID 65069110) is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C2CCCc3ccccc32)C1.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid?
The InChIKey is YTODHTMNOVGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(16(19)20)10-5-11-18(12-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,20).
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid?
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).