1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine

C11H18N2 — CID 141203200

IUPAC1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C\C)C1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-7-13-11(4-2)10-5-8-12-9-6-10/h3-4,7,10,12H,2,5-6,8-9H2,1H3/b7-3+,13-11+
InChIKeyOPFNXFQOPDBPBD-GWDOTJBFSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds3

About 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine

1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 141203200) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
PubChem CID141203200
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C\C)C1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-7-13-11(4-2)10-5-8-12-9-6-10/h3-4,7,10,12H,2,5-6,8-9H2,1H3/b7-3+,13-11+
InChIKeyOPFNXFQOPDBPBD-GWDOTJBFSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)piperidinium iodide
CID 129841697
2-(3,4-dihydropyridin-4-yl)-N-ethylethanamine
CID 89305746
N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine
CID 123250912
1-Piperidin-4-ylprop-2-en-1-imine
CID 123337965
N-(piperidin-4-ylmethyl)but-3-en-2-imine
CID 123852038
4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
CID 129099367
1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine
CID 138500116
4-(4-methyl-3H-pyrrol-2-yl)piperidine
CID 138631950
N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine
CID 139321602
ethane;N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923227
N-[(Z)-but-2-en-2-yl]-1-piperidin-4-ylethanimine
CID 142088784
ethane;1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137752

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine (CID 141203200) is 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine is C=C/C(=N\C=C\C)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is OPFNXFQOPDBPBD-GWDOTJBFSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-7-13-11(4-2)10-5-8-12-9-6-10/h3-4,7,10,12H,2,5-6,8-9H2,1H3/b7-3+,13-11+.
What are the key properties of 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine?
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 141203200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).