2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C25H32N4 — CID 10318114

IUPAC2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C)cc35)CCC4)CC2)c1
InChIInChI=1S/C25H32N4/c1-18-6-8-26-24(17-18)28-13-11-27(12-14-28)10-7-22-20(3)29-9-4-5-21-15-19(2)16-23(22)25(21)29/h6,8,15-17H,4-5,7,9-14H2,1-3H3
InChIKeyVJTWWRNOGWKHIN-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.27
Rot. Bonds4

About 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 10318114) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID10318114
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C)cc35)CCC4)CC2)c1
InChIInChI=1S/C25H32N4/c1-18-6-8-26-24(17-18)28-13-11-27(12-14-28)10-7-22-20(3)29-9-4-5-21-15-19(2)16-23(22)25(21)29/h6,8,15-17H,4-5,7,9-14H2,1-3H3
InChIKeyVJTWWRNOGWKHIN-UHFFFAOYSA-N
XLogP4.27
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Latrepirdine
CID 197033
CGS 12066B-parent
CID 2689
Florquinitau
CID 118577045
Panulisib
CID 56947515
Pazelliptine
CID 68853
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-dimethyl-
CID 3056049
1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate
CID 3068864
5-Fluoro-2-((4-(2-pyridinyl)-1-piperazinyl)methyl)-1H-indole
CID 9796720
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 10318114) is 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C)cc35)CCC4)CC2)c1.
What is the InChIKey of 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is VJTWWRNOGWKHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-18-6-8-26-24(17-18)28-13-11-27(12-14-28)10-7-22-20(3)29-9-4-5-21-15-19(2)16-23(22)25(21)29/h6,8,15-17H,4-5,7,9-14H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 388.56 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 10318114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).