[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate

C22H36N2O3 — CID 21361307

IUPAC[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C22H36N2O3/c1-7-22(8-2)16-19(26-20(25)23-9-3)15-21(5,6)24(22)27-17(4)18-13-11-10-12-14-18/h10-14,17,19H,7-9,15-16H2,1-6H3,(H,23,25)
InChIKeyZPKNIOHAOLTQQL-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.23
Rot. Bonds7

About [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate

[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate (PubChem CID 21361307) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate
PubChem CID21361307
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C22H36N2O3/c1-7-22(8-2)16-19(26-20(25)23-9-3)15-21(5,6)24(22)27-17(4)18-13-11-10-12-14-18/h10-14,17,19H,7-9,15-16H2,1-6H3,(H,23,25)
InChIKeyZPKNIOHAOLTQQL-UHFFFAOYSA-N
XLogP5.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate?
The IUPAC name of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate (CID 21361307) is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate.
What is the SMILES notation for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate?
The canonical SMILES for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate is CCNC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.
What is the InChIKey of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate?
The InChIKey is ZPKNIOHAOLTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-7-22(8-2)16-19(26-20(25)23-9-3)15-21(5,6)24(22)27-17(4)18-13-11-10-12-14-18/h10-14,17,19H,7-9,15-16H2,1-6H3,(H,23,25).
What are the key properties of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate?
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate has a molecular weight of 376.54 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-ethylcarbamate is sourced from PubChem (CID 21361307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).