1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine

C73H112N6 — CID 88987486

IUPAC1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine
SMILESC=CCCCC(N)C1CC(C2CCCCC2)CC(C2CC=C(C3CC(C4CCC(C5CC(C6C=CCCC6)CC(C6CCCCN6)N5)CC4)=CC(C4C=CC(C5C=C(C6=CCCCC6)CC(C6CC=CCN6)N5)CC4)C3)CC2)=N1
InChIInChI=1S/C73H112N6/c1-2-3-7-24-65(74)71-47-62(50-18-8-4-9-19-50)44-68(77-71)56-33-27-53(28-34-56)59-41-60(54-29-35-57(36-30-54)69-45-63(51-20-10-5-11-21-51)48-72(78-69)66-25-14-16-39-75-66)43-61(42-59)55-31-37-58(38-32-55)70-46-64(52-22-12-6-13-23-52)49-73(79-70)67-26-15-17-40-76-67/h2,10,15,17,20,22,27,31,37,43,46,50-51,54-59,61-63,65-67,69-73,75-76,78-79H,1,3-9,11-14,16,18-19,21,23-26,28-30,32-36,38-42,44-45,47-49,74H2
InChIKeyADMKQCVQXNCELD-UHFFFAOYSA-N
MW1073.74 g/mol
LogP15.85
Rot. Bonds16

About 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine

1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine (PubChem CID 88987486) has the molecular formula C73H112N6 and a molecular weight of 1073.74 g/mol. Its IUPAC name is 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine.

Molecular Properties

Compound Name1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine
PubChem CID88987486
Molecular FormulaC73H112N6
Molecular Weight1073.74 g/mol
Exact Mass1072.89
IUPAC Name1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine
SMILESC=CCCCC(N)C1CC(C2CCCCC2)CC(C2CC=C(C3CC(C4CCC(C5CC(C6C=CCCC6)CC(C6CCCCN6)N5)CC4)=CC(C4C=CC(C5C=C(C6=CCCCC6)CC(C6CC=CCN6)N5)CC4)C3)CC2)=N1
InChIInChI=1S/C73H112N6/c1-2-3-7-24-65(74)71-47-62(50-18-8-4-9-19-50)44-68(77-71)56-33-27-53(28-34-56)59-41-60(54-29-35-57(36-30-54)69-45-63(51-20-10-5-11-21-51)48-72(78-69)66-25-14-16-39-75-66)43-61(42-59)55-31-37-58(38-32-55)70-46-64(52-22-12-6-13-23-52)49-73(79-70)67-26-15-17-40-76-67/h2,10,15,17,20,22,27,31,37,43,46,50-51,54-59,61-63,65-67,69-73,75-76,78-79H,1,3-9,11-14,16,18-19,21,23-26,28-30,32-36,38-42,44-45,47-49,74H2
InChIKeyADMKQCVQXNCELD-UHFFFAOYSA-N
XLogP15.85
TPSA86.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.74
LogP ≤ 515.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine?
The IUPAC name of 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine (CID 88987486) is 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine.
What is the SMILES notation for 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine?
The canonical SMILES for 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine is C=CCCCC(N)C1CC(C2CCCCC2)CC(C2CC=C(C3CC(C4CCC(C5CC(C6C=CCCC6)CC(C6CCCCN6)N5)CC4)=CC(C4C=CC(C5C=C(C6=CCCCC6)CC(C6CC=CCN6)N5)CC4)C3)CC2)=N1.
What is the InChIKey of 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine?
The InChIKey is ADMKQCVQXNCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H112N6/c1-2-3-7-24-65(74)71-47-62(50-18-8-4-9-19-50)44-68(77-71)56-33-27-53(28-34-56)59-41-60(54-29-35-57(36-30-54)69-45-63(51-20-10-5-11-21-51)48-72(78-69)66-25-14-16-39-75-66)43-61(42-59)55-31-37-58(38-32-55)70-46-64(52-22-12-6-13-23-52)49-73(79-70)67-26-15-17-40-76-67/h2,10,15,17,20,22,27,31,37,43,46,50-51,54-59,61-63,65-67,69-73,75-76,78-79H,1,3-9,11-14,16,18-19,21,23-26,28-30,32-36,38-42,44-45,47-49,74H2.
What are the key properties of 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine?
1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine has a molecular weight of 1073.74 g/mol, XLogP of 15.85, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[3-[4-(4-cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine is sourced from PubChem (CID 88987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).