4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C18H25N3 — CID 921145

IUPAC4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1cc2n(c1CN1CCCCC1)CCn1c(C)ccc1-2
InChIInChI=1S/C18H25N3/c1-14-12-17-16-7-6-15(2)20(16)10-11-21(17)18(14)13-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyBAOFKHFGYMOQPA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.57
Rot. Bonds2

About 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 921145) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID921145
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1cc2n(c1CN1CCCCC1)CCn1c(C)ccc1-2
InChIInChI=1S/C18H25N3/c1-14-12-17-16-7-6-15(2)20(16)10-11-21(17)18(14)13-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyBAOFKHFGYMOQPA-UHFFFAOYSA-N
XLogP3.57
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 921145) is 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Cc1cc2n(c1CN1CCCCC1)CCn1c(C)ccc1-2.
What is the InChIKey of 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is BAOFKHFGYMOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-12-17-16-7-6-15(2)20(16)10-11-21(17)18(14)13-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11,13H2,1-2H3.
What are the key properties of 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 283.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 921145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).