2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C17H23N3 — CID 116983374

IUPAC2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1cc2cc(C3CN(C)CCN3)cc3c2n1CCC3
InChIInChI=1S/C17H23N3/c1-12-8-15-10-14(16-11-19(2)7-5-18-16)9-13-4-3-6-20(12)17(13)15/h8-10,16,18H,3-7,11H2,1-2H3
InChIKeyYIYIOIKCNLNWSD-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.47
Rot. Bonds1

About 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 116983374) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID116983374
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCc1cc2cc(C3CN(C)CCN3)cc3c2n1CCC3
InChIInChI=1S/C17H23N3/c1-12-8-15-10-14(16-11-19(2)7-5-18-16)9-13-4-3-6-20(12)17(13)15/h8-10,16,18H,3-7,11H2,1-2H3
InChIKeyYIYIOIKCNLNWSD-UHFFFAOYSA-N
XLogP2.47
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
CID 116983338
2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine
CID 116983316
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-methyl-2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)butanenitrile
CID 116983403
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
CID 116992387
1-methyl-5-(4-methylphenyl)-1,4-diazepane
CID 82282903
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 116983374) is 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is Cc1cc2cc(C3CN(C)CCN3)cc3c2n1CCC3.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is YIYIOIKCNLNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-15-10-14(16-11-19(2)7-5-18-16)9-13-4-3-6-20(12)17(13)15/h8-10,16,18H,3-7,11H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 269.39 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 116983374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).