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

C16H24N2O2 — CID 162664606

IUPAC(1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-17(2)16(19)20-15-10-7-11-18(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyUQFYXANPTRIVID-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds4

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

(1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate (PubChem CID 162664606) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate
PubChem CID162664606
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-17(2)16(19)20-15-10-7-11-18(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyUQFYXANPTRIVID-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
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) N-ethyl-N-methylcarbamate?
The IUPAC name of (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate (CID 162664606) is (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate?
The InChIKey is UQFYXANPTRIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-17(2)16(19)20-15-10-7-11-18(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3.
What are the key properties of (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate?
(1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162664606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).