7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

C24H26N2O2 — CID 54353975

IUPAC7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESC1=C(c2ccccc2)CC(CCCCc2c[nH]c3cc4c(cc23)OCO4)NC1
InChIInChI=1S/C24H26N2O2/c1-2-6-17(7-3-1)18-10-11-25-20(12-18)9-5-4-8-19-15-26-22-14-24-23(13-21(19)22)27-16-28-24/h1-3,6-7,10,13-15,20,25-26H,4-5,8-9,11-12,16H2
InChIKeyUHUGHQFOGXRVRF-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.05
Rot. Bonds6

About 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 54353975) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID54353975
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESC1=C(c2ccccc2)CC(CCCCc2c[nH]c3cc4c(cc23)OCO4)NC1
InChIInChI=1S/C24H26N2O2/c1-2-6-17(7-3-1)18-10-11-25-20(12-18)9-5-4-8-19-15-26-22-14-24-23(13-21(19)22)27-16-28-24/h1-3,6-7,10,13-15,20,25-26H,4-5,8-9,11-12,16H2
InChIKeyUHUGHQFOGXRVRF-UHFFFAOYSA-N
XLogP5.05
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole with MolForge

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Related Compounds

[3-[5-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)pentyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412488
5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid;hydrochloride
CID 67883034
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
ethyl [5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412162
3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
CID 19786689
5,6-dichloro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848911
7-chloro-4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 70484417
2-(4-chlorobutyl)-4-phenyl-1,2,3,6-tetrahydropyridine
CID 142648598
3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
CID 19848882
7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 70044975
N-benzyl-N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]cyclopropanamine
CID 13140995
5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole
CID 70484161

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (CID 54353975) is 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is C1=C(c2ccccc2)CC(CCCCc2c[nH]c3cc4c(cc23)OCO4)NC1.
What is the InChIKey of 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is UHUGHQFOGXRVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-6-17(7-3-1)18-10-11-25-20(12-18)9-5-4-8-19-15-26-22-14-24-23(13-21(19)22)27-16-28-24/h1-3,6-7,10,13-15,20,25-26H,4-5,8-9,11-12,16H2.
What are the key properties of 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 374.48 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 54353975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).