(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate

C21H26N2O2 — CID 23381390

IUPAC(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-22-21(24)25-19-13-15-23(16-14-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,22,24)
InChIKeyMPPYKPQMMIQDPM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.99
Rot. Bonds5

About (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate

(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate (PubChem CID 23381390) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate
PubChem CID23381390
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-22-21(24)25-19-13-15-23(16-14-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,22,24)
InChIKeyMPPYKPQMMIQDPM-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate?
The IUPAC name of (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate (CID 23381390) is (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate.
What is the SMILES notation for (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate?
The canonical SMILES for (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate is CCNC(=O)OC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate?
The InChIKey is MPPYKPQMMIQDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-22-21(24)25-19-13-15-23(16-14-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,22,24).
What are the key properties of (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate?
(1-benzhydrylpiperidin-4-yl) N-ethylcarbamate has a molecular weight of 338.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylpiperidin-4-yl) N-ethylcarbamate is sourced from PubChem (CID 23381390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).