1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate

C18H25NO2 — CID 63125791

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
SMILESCCC1(C(=O)OC2CCCc3ccccc32)CCNCC1
InChIInChI=1S/C18H25NO2/c1-2-18(10-12-19-13-11-18)17(20)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,16,19H,2,5,7,9-13H2,1H3
InChIKeyAHXFMIOTKFJWIK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.39
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate (PubChem CID 63125791) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
PubChem CID63125791
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
SMILESCCC1(C(=O)OC2CCCc3ccccc32)CCNCC1
InChIInChI=1S/C18H25NO2/c1-2-18(10-12-19-13-11-18)17(20)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,16,19H,2,5,7,9-13H2,1H3
InChIKeyAHXFMIOTKFJWIK-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
CID 106978098
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61279902
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
4-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 119787364
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568102
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate
CID 55179314
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 119674476

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate (CID 63125791) is 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate is CCC1(C(=O)OC2CCCc3ccccc32)CCNCC1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate?
The InChIKey is AHXFMIOTKFJWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-18(10-12-19-13-11-18)17(20)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,16,19H,2,5,7,9-13H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 63125791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).