(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate

C21H24N2O2 — CID 15069076

IUPAC(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILES[H]/N=C/N1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)20(24)25-19-12-14-23(16-22)15-13-19/h2-11,16,19,22H,12-15H2,1H3/b22-16+
InChIKeyRNLUHXSFLSEBKZ-CJLVFECKSA-N
MW336.44 g/mol
LogP3.61
Rot. Bonds5

About (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate

(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate (PubChem CID 15069076) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate
PubChem CID15069076
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILES[H]/N=C/N1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)20(24)25-19-12-14-23(16-22)15-13-19/h2-11,16,19,22H,12-15H2,1H3/b22-16+
InChIKeyRNLUHXSFLSEBKZ-CJLVFECKSA-N
XLogP3.61
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1-methanimidoylpyrrolidin-3-yl) 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594451
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
[(4S,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-diphenylpropanoate
CID 90850483
[(4S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-diphenylpropanoate bromide
CID 160712901
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
(1-methylpiperidin-4-yl) (2R)-2-(1-hydroxycyclohexyl)-2-phenylpropanoate
CID 97304408
[(4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-diphenylpropanoate bromide
CID 11583398
cyclopropyl 3-bromo-2,2-diphenylpropanoate
CID 174568093
5-[[[2-methyl-3-(1-methylpiperidin-4-yl)oxy-3-oxo-2-phenylpropyl]amino]methyl]thiophene-2-carboxylic acid
CID 154498155
[1-cyclopentyl-2-(1-methylpiperidin-4-yl)oxy-2-oxo-1-phenylethyl] benzoate;hydrochloride
CID 3047394
[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
CID 70907246
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
CID 517443

Frequently Asked Questions

What is the IUPAC name of (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate?
The IUPAC name of (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate (CID 15069076) is (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate.
What is the SMILES notation for (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate?
The canonical SMILES for (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate is [H]/N=C/N1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate?
The InChIKey is RNLUHXSFLSEBKZ-CJLVFECKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)20(24)25-19-12-14-23(16-22)15-13-19/h2-11,16,19,22H,12-15H2,1H3/b22-16+.
What are the key properties of (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate?
(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate has a molecular weight of 336.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate is sourced from PubChem (CID 15069076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).