[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate

C18H26N2O2 — CID 162667985

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O2/c1-3-19(2)18(21)22-17-9-6-10-20(13-17)16-11-14-7-4-5-8-15(14)12-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyGRDWZBWUIQBIEA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.71
Rot. Bonds3

About [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate (PubChem CID 162667985) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
PubChem CID162667985
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O2/c1-3-19(2)18(21)22-17-9-6-10-20(13-17)16-11-14-7-4-5-8-15(14)12-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyGRDWZBWUIQBIEA-UHFFFAOYSA-N
XLogP2.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate (CID 162667985) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate?
The InChIKey is GRDWZBWUIQBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-19(2)18(21)22-17-9-6-10-20(13-17)16-11-14-7-4-5-8-15(14)12-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate has a molecular weight of 302.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162667985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).