(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate

C17H26N2O2 — CID 162670599

IUPAC(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(2)17(20)21-14-16-10-7-11-19(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-14H2,1-2H3
InChIKeyQTKJESXVOYSUBT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.99
Rot. Bonds5

About (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate

(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate (PubChem CID 162670599) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate
PubChem CID162670599
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(2)17(20)21-14-16-10-7-11-19(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-14H2,1-2H3
InChIKeyQTKJESXVOYSUBT-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate?
The IUPAC name of (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate (CID 162670599) is (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate?
The InChIKey is QTKJESXVOYSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18(2)17(20)21-14-16-10-7-11-19(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-14H2,1-2H3.
What are the key properties of (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate?
(1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)methyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162670599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).