(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate

C17H26N2O2 — CID 30375

IUPAC(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate
SMILESCCN1CCCC(COC(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C17H26N2O2/c1-4-19-10-6-9-15(11-19)12-21-17(20)18-16-13(2)7-5-8-14(16)3/h5,7-8,15H,4,6,9-12H2,1-3H3,(H,18,20)
InChIKeyVEEVSPGMKRPCSV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.58
Rot. Bonds4

About (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate

(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate (PubChem CID 30375) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate
PubChem CID30375
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate
SMILESCCN1CCCC(COC(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C17H26N2O2/c1-4-19-10-6-9-15(11-19)12-21-17(20)18-16-13(2)7-5-8-14(16)3/h5,7-8,15H,4,6,9-12H2,1-3H3,(H,18,20)
InChIKeyVEEVSPGMKRPCSV-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate (CID 30375) is (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate is CCN1CCCC(COC(=O)Nc2c(C)cccc2C)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The InChIKey is VEEVSPGMKRPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19-10-6-9-15(11-19)12-21-17(20)18-16-13(2)7-5-8-14(16)3/h5,7-8,15H,4,6,9-12H2,1-3H3,(H,18,20).
What are the key properties of (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate?
(1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 30375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).