4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine

C23H35N5 — CID 168937351

About 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine

4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine (PubChem CID 168937351) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

• Compound Name: 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine
• PubChem CID: 168937351
• Molecular Formula: C23H35N5
• Molecular Weight: 381.57 g/mol
• Exact Mass: 381.29
• IUPAC Name: 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine
• SMILES: C=N/C=C\C.CC/C=C1\C=CC(CNC2=CNCC=C2N2CCNCC2)=CC1
• InChI: InChI=1S/C19H28N4.C4H7N/c1-2-3-16-4-6-17(7-5-16)14-22-18-15-21-9-8-19(18)23-12-10-20-11-13-23;1-3-4-5-2/h3-4,6-8,15,20-22H,2,5,9-14H2,1H3;3-4H,2H2,1H3/b16-3+;4-3-
• InChIKey: UFCCMJYABJHDLM-YSGALUPISA-N
• XLogP: 3.25
• TPSA: 51.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.57
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine?

The IUPAC name of 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine (CID 168937351) is 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine.

What is the SMILES notation for 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine?

The canonical SMILES for 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine is C=N/C=C\C.CC/C=C1\C=CC(CNC2=CNCC=C2N2CCNCC2)=CC1.

What is the InChIKey of 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine?

The InChIKey is UFCCMJYABJHDLM-YSGALUPISA-N. The full InChI is InChI=1S/C19H28N4.C4H7N/c1-2-3-16-4-6-17(7-5-16)14-22-18-15-21-9-8-19(18)23-12-10-20-11-13-23;1-3-4-5-2/h3-4,6-8,15,20-22H,2,5,9-14H2,1H3;3-4H,2H2,1H3/b16-3+;4-3-.

What are the key properties of 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine?

4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 381.57 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 168937351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).