[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate

C22H26N2O3 — CID 71624715

IUPAC[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate
SMILESCCC1/C(=N/OC(=O)OC)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-18-19(23-27-22(25)26-3)15-20(16-11-7-5-8-12-16)24(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b23-19+
InChIKeyFFQSWSIEINCATO-FCDQGJHFSA-N
MW366.46 g/mol
LogP4.97
Rot. Bonds4

About [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate

[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate (PubChem CID 71624715) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate.

Molecular Properties

Compound Name[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate
PubChem CID71624715
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate
SMILESCCC1/C(=N/OC(=O)OC)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-18-19(23-27-22(25)26-3)15-20(16-11-7-5-8-12-16)24(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b23-19+
InChIKeyFFQSWSIEINCATO-FCDQGJHFSA-N
XLogP4.97
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 5333825
3,5-diethyl-N-hydroxy-2,6-diphenylpiperidin-4-imine
CID 2729796
3,5-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 2854422
3-Methyl-2,6-diphenyl-4-piperidinone oxime
CID 5333927
(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
CID 5333964
(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 5339658
N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
CID 280709
1-Methyl-3-pentyl-2,6-diphenyl-4-piperidinone oxime
CID 5335923
(Z)-1,3-Dimethyl-2,6-diphenylpiperidin-4-one oxime
CID 5722064
4-Piperidinone, 1-methyl-2,3,6-triphenyl-, oxime
CID 6043467
(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde
CID 16724601
(1S,2S,4R,5R)-N-methoxy-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 54582285

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate?
The IUPAC name of [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate (CID 71624715) is [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate.
What is the SMILES notation for [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate?
The canonical SMILES for [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate is CCC1/C(=N/OC(=O)OC)CC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate?
The InChIKey is FFQSWSIEINCATO-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-18-19(23-27-22(25)26-3)15-20(16-11-7-5-8-12-16)24(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b23-19+.
What are the key properties of [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate?
[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate has a molecular weight of 366.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate is sourced from PubChem (CID 71624715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).