(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C18H26N2O — CID 81450521

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCCc3ccccc32)CCC1N
InChIInChI=1S/C18H26N2O/c1-2-13-12-20(11-10-17(13)19)18(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-17H,2,5,7,9-12,19H2,1H3
InChIKeyCMPUKGVXUVVZJT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 81450521) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID81450521
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCCc3ccccc32)CCC1N
InChIInChI=1S/C18H26N2O/c1-2-13-12-20(11-10-17(13)19)18(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-17H,2,5,7,9-12,19H2,1H3
InChIKeyCMPUKGVXUVVZJT-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 81450521) is (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CCC1CN(C(=O)C2CCCc3ccccc32)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is CMPUKGVXUVVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-13-12-20(11-10-17(13)19)18(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16-17H,2,5,7,9-12,19H2,1H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 81450521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).