5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane

C34H47FN2 — CID 142906898

About 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane

5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane (PubChem CID 142906898) has the molecular formula C34H47FN2 and a molecular weight of 502.76 g/mol. Its IUPAC name is 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane.

Molecular Properties

• Compound Name: 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane
• PubChem CID: 142906898
• Molecular Formula: C34H47FN2
• Molecular Weight: 502.76 g/mol
• Exact Mass: 502.37
• IUPAC Name: 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane
• SMILES: C=C(CCCCCC)c1c[nH]c2cc(C)c(C(=C)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CCC
• InChI: InChI=1S/C31H39FN2.C3H8/c1-5-6-7-8-9-22(2)30-21-33-31-18-23(3)28(20-29(30)31)24(4)34-16-14-26(15-17-34)19-25-10-12-27(32)13-11-25;1-3-2/h10-13,18,20-21,26,33H,2,4-9,14-17,19H2,1,3H3;3H2,1-2H3
• InChIKey: YDJFSZBTSLETSM-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 19.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.76
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane?

The IUPAC name of 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane (CID 142906898) is 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane.

What is the SMILES notation for 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane?

The canonical SMILES for 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane is C=C(CCCCCC)c1c[nH]c2cc(C)c(C(=C)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CCC.

What is the InChIKey of 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane?

The InChIKey is YDJFSZBTSLETSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN2.C3H8/c1-5-6-7-8-9-22(2)30-21-33-31-18-23(3)28(20-29(30)31)24(4)34-16-14-26(15-17-34)19-25-10-12-27(32)13-11-25;1-3-2/h10-13,18,20-21,26,33H,2,4-9,14-17,19H2,1,3H3;3H2,1-2H3.

What are the key properties of 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane?

5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane has a molecular weight of 502.76 g/mol, XLogP of 9.94, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethenyl]-6-methyl-3-oct-1-en-2-yl-1H-indole;propane is sourced from PubChem (CID 142906898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).