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

C26H42N2O3 — CID 21361306

IUPAC[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate
SMILESCCC1(CC)CC(OC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C26H42N2O3/c1-6-26(7-2)19-23(30-24(29)27-22-16-12-9-13-17-22)18-25(4,5)28(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H,27,29)
InChIKeyCIDRUMNOPAELSW-UHFFFAOYSA-N
MW430.63 g/mol
LogP6.54
Rot. Bonds7

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

[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate (PubChem CID 21361306) has the molecular formula C26H42N2O3 and a molecular weight of 430.63 g/mol. Its IUPAC name is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate
PubChem CID21361306
Molecular FormulaC26H42N2O3
Molecular Weight430.63 g/mol
Exact Mass430.32
IUPAC Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate
SMILESCCC1(CC)CC(OC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C26H42N2O3/c1-6-26(7-2)19-23(30-24(29)27-22-16-12-9-13-17-22)18-25(4,5)28(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H,27,29)
InChIKeyCIDRUMNOPAELSW-UHFFFAOYSA-N
XLogP6.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 56.54
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-cyclohexylcarbamate?
The IUPAC name of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate (CID 21361306) is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate?
The canonical SMILES for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate is CCC1(CC)CC(OC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate?
The InChIKey is CIDRUMNOPAELSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3/c1-6-26(7-2)19-23(30-24(29)27-22-16-12-9-13-17-22)18-25(4,5)28(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H,27,29).
What are the key properties of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate?
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] N-cyclohexylcarbamate has a molecular weight of 430.63 g/mol, XLogP of 6.54, 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-cyclohexylcarbamate is sourced from PubChem (CID 21361306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).