(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine

C12H20N2 — CID 142368516

IUPAC(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-12(13-5-2)14-9-7-11(3)8-10-14/h4-6,11H,2,7-10H2,1,3H3/b6-4-,13-12+
InChIKeyQPUWSYBZLGJRCY-HRGAPMFUSA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds2

About (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine

(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine (PubChem CID 142368516) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
PubChem CID142368516
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-12(13-5-2)14-9-7-11(3)8-10-14/h4-6,11H,2,7-10H2,1,3H3/b6-4-,13-12+
InChIKeyQPUWSYBZLGJRCY-HRGAPMFUSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine (CID 142368516) is (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine is C=C/N=C(\C=C/C)N1CCC(C)CC1.
What is the InChIKey of (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
The InChIKey is QPUWSYBZLGJRCY-HRGAPMFUSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-12(13-5-2)14-9-7-11(3)8-10-14/h4-6,11H,2,7-10H2,1,3H3/b6-4-,13-12+.
What are the key properties of (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine?
(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 142368516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).