(1-benzylpiperidin-3-yl) N-phenylcarbamate

C19H22N2O2 — CID 162671003

IUPAC(1-benzylpiperidin-3-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-19(20-17-10-5-2-6-11-17)23-18-12-7-13-21(15-18)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,20,22)
InChIKeyZTJATLWGHDUVIF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds4

About (1-benzylpiperidin-3-yl) N-phenylcarbamate

(1-benzylpiperidin-3-yl) N-phenylcarbamate (PubChem CID 162671003) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl) N-phenylcarbamate
PubChem CID162671003
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1-benzylpiperidin-3-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-19(20-17-10-5-2-6-11-17)23-18-12-7-13-21(15-18)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,20,22)
InChIKeyZTJATLWGHDUVIF-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl) N-phenylcarbamate?
The IUPAC name of (1-benzylpiperidin-3-yl) N-phenylcarbamate (CID 162671003) is (1-benzylpiperidin-3-yl) N-phenylcarbamate.
What is the SMILES notation for (1-benzylpiperidin-3-yl) N-phenylcarbamate?
The canonical SMILES for (1-benzylpiperidin-3-yl) N-phenylcarbamate is O=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpiperidin-3-yl) N-phenylcarbamate?
The InChIKey is ZTJATLWGHDUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-17-10-5-2-6-11-17)23-18-12-7-13-21(15-18)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,20,22).
What are the key properties of (1-benzylpiperidin-3-yl) N-phenylcarbamate?
(1-benzylpiperidin-3-yl) N-phenylcarbamate has a molecular weight of 310.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl) N-phenylcarbamate is sourced from PubChem (CID 162671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).