N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C45H68N6OS — CID 143698799

About N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 143698799) has the molecular formula C45H68N6OS and a molecular weight of 741.15 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

• Compound Name: N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
• PubChem CID: 143698799
• Molecular Formula: C45H68N6OS
• Molecular Weight: 741.15 g/mol
• Exact Mass: 740.52
• IUPAC Name: N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
• SMILES: C=C/C=N/C(C)=C\C.COCCN1CCC(c2ccc(C)cc2)CC1.Cc1ccc(N2CCNCC2)cc1.c1csc(N2CCN3CCCCC3C2)c1
• InChI: InChI=1S/C15H23NO.C12H18N2S.C11H16N2.C7H11N/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)11-12-17-2;1-2-6-13-7-8-14(10-11(13)4-1)12-5-3-9-15-12;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-4-6-8-7(3)5-2/h3-6,15H,7-12H2,1-2H3;3,5,9,11H,1-2,4,6-8,10H2;2-5,12H,6-9H2,1H3;4-6H,1H2,2-3H3/b;;;7-5-,8-6+
• InChIKey: LKSPWZPLSANKLU-PSWJNPAYSA-N
• XLogP: 8.81
• TPSA: 46.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.15
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?

The IUPAC name of N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 143698799) is N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

What is the SMILES notation for N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?

The canonical SMILES for N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is C=C/C=N/C(C)=C\C.COCCN1CCC(c2ccc(C)cc2)CC1.Cc1ccc(N2CCNCC2)cc1.c1csc(N2CCN3CCCCC3C2)c1.

What is the InChIKey of N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?

The InChIKey is LKSPWZPLSANKLU-PSWJNPAYSA-N. The full InChI is InChI=1S/C15H23NO.C12H18N2S.C11H16N2.C7H11N/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)11-12-17-2;1-2-6-13-7-8-14(10-11(13)4-1)12-5-3-9-15-12;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-4-6-8-7(3)5-2/h3-6,15H,7-12H2,1-2H3;3,5,9,11H,1-2,4,6-8,10H2;2-5,12H,6-9H2,1H3;4-6H,1H2,2-3H3/b;;;7-5-,8-6+.

What are the key properties of N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?

N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 741.15 g/mol, XLogP of 8.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-(4-methylphenyl)piperazine;2-thiophen-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 143698799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).