N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine

C12H20N2O — CID 142003251

IUPACN-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C(=N\C=C/OC)C1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-4-12(13-7-10-15-3)11-5-8-14(2)9-6-11/h4,7,10-11H,1,5-6,8-9H2,2-3H3/b10-7-,13-12+
InChIKeyHWDZPJILRLFJIM-WMWUNQATSA-N
MW208.31 g/mol
LogP2.07
Rot. Bonds4

About N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine

N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 142003251) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
PubChem CID142003251
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C(=N\C=C/OC)C1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-4-12(13-7-10-15-3)11-5-8-14(2)9-6-11/h4,7,10-11H,1,5-6,8-9H2,2-3H3/b10-7-,13-12+
InChIKeyHWDZPJILRLFJIM-WMWUNQATSA-N
XLogP2.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
CID 142003257
(E)-N-[(E)-but-1-enyl]-3-methoxy-1-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 145588055
N-ethenyl-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 172350879
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 142003258

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine (CID 142003251) is N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine is C=C/C(=N\C=C/OC)C1CCN(C)CC1.
What is the InChIKey of N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The InChIKey is HWDZPJILRLFJIM-WMWUNQATSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(13-7-10-15-3)11-5-8-14(2)9-6-11/h4,7,10-11H,1,5-6,8-9H2,2-3H3/b10-7-,13-12+.
What are the key properties of N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 208.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 142003251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).