1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole

C24H28N2 — CID 10474937

IUPAC1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
SMILESCn1cc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2/c1-25-19-22(23-12-5-6-13-24(23)25)11-7-8-16-26-17-14-21(15-18-26)20-9-3-2-4-10-20/h2-6,9-10,12-14,19H,7-8,11,15-18H2,1H3
InChIKeyXJWCIRDJJRTWNX-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.29
Rot. Bonds6

About 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole

1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole (PubChem CID 10474937) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole.

Molecular Properties

Compound Name1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
PubChem CID10474937
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
SMILESCn1cc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2/c1-25-19-22(23-12-5-6-13-24(23)25)11-7-8-16-26-17-14-21(15-18-26)20-9-3-2-4-10-20/h2-6,9-10,12-14,19H,7-8,11,15-18H2,1H3
InChIKeyXJWCIRDJJRTWNX-UHFFFAOYSA-N
XLogP5.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The IUPAC name of 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole (CID 10474937) is 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole.
What is the SMILES notation for 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The canonical SMILES for 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole is Cn1cc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The InChIKey is XJWCIRDJJRTWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-25-19-22(23-12-5-6-13-24(23)25)11-7-8-16-26-17-14-21(15-18-26)20-9-3-2-4-10-20/h2-6,9-10,12-14,19H,7-8,11,15-18H2,1H3.
What are the key properties of 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole has a molecular weight of 344.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole is sourced from PubChem (CID 10474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).