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

C19H28N2O2 — CID 162672032

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-3-20(2)19(22)23-14-15-7-6-10-21(13-15)18-11-16-8-4-5-9-17(16)12-18/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyJTNNREFXLZRASL-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.95
Rot. Bonds4

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

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate (PubChem CID 162672032) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate
PubChem CID162672032
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-3-20(2)19(22)23-14-15-7-6-10-21(13-15)18-11-16-8-4-5-9-17(16)12-18/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyJTNNREFXLZRASL-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.95
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]methyl N-ethyl-N-methylcarbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate (CID 162672032) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate?
The InChIKey is JTNNREFXLZRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-20(2)19(22)23-14-15-7-6-10-21(13-15)18-11-16-8-4-5-9-17(16)12-18/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate has a molecular weight of 316.45 g/mol, XLogP of 2.95, 4 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]methyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162672032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).