(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine

C17H26N2O — CID 142021036

IUPAC(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(CCCC2CCN(C)CC2)C=C/C1=N/OC
InChIInChI=1S/C17H26N2O/c1-14-13-16(7-8-17(14)18-20-3)6-4-5-15-9-11-19(2)12-10-15/h7-8,13,15H,1,4-6,9-12H2,2-3H3/b18-17-
InChIKeyQXRCKEHVHRYCCI-ZCXUNETKSA-N
MW274.41 g/mol
LogP3.55
Rot. Bonds5

About (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine

(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine (PubChem CID 142021036) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine
PubChem CID142021036
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(CCCC2CCN(C)CC2)C=C/C1=N/OC
InChIInChI=1S/C17H26N2O/c1-14-13-16(7-8-17(14)18-20-3)6-4-5-15-9-11-19(2)12-10-15/h7-8,13,15H,1,4-6,9-12H2,2-3H3/b18-17-
InChIKeyQXRCKEHVHRYCCI-ZCXUNETKSA-N
XLogP3.55
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

4-Cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine
CID 163575310
(E,6E,8Z,10E)-5-butyl-3,6-dimethyl-N-(2-methyl-3-piperidin-1-ylpropoxy)-5-propyltrideca-6,8,10-trien-4-imine
CID 168179001
(E,6E,8Z,10E)-3,6-dimethyl-N-(2-methyl-3-piperidin-1-ylpropoxy)-5-pentyl-5-propyltrideca-6,8,10-trien-4-imine
CID 168179206

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine (CID 142021036) is (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine is C=C1C=C(CCCC2CCN(C)CC2)C=C/C1=N/OC.
What is the InChIKey of (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is QXRCKEHVHRYCCI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-13-16(7-8-17(14)18-20-3)6-4-5-15-9-11-19(2)12-10-15/h7-8,13,15H,1,4-6,9-12H2,2-3H3/b18-17-.
What are the key properties of (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine?
(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 274.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).