N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide

C18H26N4O — CID 56989201

IUPACN'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide
SMILESCc1cccc(/N=C(/N=C2CCCCN2C)N2CCOCC2)c1
InChIInChI=1S/C18H26N4O/c1-15-6-5-7-16(14-15)19-18(22-10-12-23-13-11-22)20-17-8-3-4-9-21(17)2/h5-7,14H,3-4,8-13H2,1-2H3/b19-18-,20-17?
InChIKeyPRDPGEYWYKGASD-PJGOZTFSSA-N
MW314.43 g/mol
LogP2.83
Rot. Bonds1

About N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide

N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide (PubChem CID 56989201) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide
PubChem CID56989201
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide
SMILESCc1cccc(/N=C(/N=C2CCCCN2C)N2CCOCC2)c1
InChIInChI=1S/C18H26N4O/c1-15-6-5-7-16(14-15)19-18(22-10-12-23-13-11-22)20-17-8-3-4-9-21(17)2/h5-7,14H,3-4,8-13H2,1-2H3/b19-18-,20-17?
InChIKeyPRDPGEYWYKGASD-PJGOZTFSSA-N
XLogP2.83
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide (CID 56989201) is N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide is Cc1cccc(/N=C(/N=C2CCCCN2C)N2CCOCC2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide?
The InChIKey is PRDPGEYWYKGASD-PJGOZTFSSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-6-5-7-16(14-15)19-18(22-10-12-23-13-11-22)20-17-8-3-4-9-21(17)2/h5-7,14H,3-4,8-13H2,1-2H3/b19-18-,20-17?.
What are the key properties of N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide?
N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide has a molecular weight of 314.43 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide is sourced from PubChem (CID 56989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).