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

C23H34N4 — CID 15828883

IUPAC4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1cc2n(c1CN1CCCCC1)CCn1c(CN3CCCCC3)ccc1-2
InChIInChI=1S/C23H34N4/c1-19-16-22-21-9-8-20(17-24-10-4-2-5-11-24)26(21)14-15-27(22)23(19)18-25-12-6-3-7-13-25/h8-9,16H,2-7,10-15,17-18H2,1H3
InChIKeyTYPFABDCIWQNAI-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.25
Rot. Bonds4

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

4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 15828883) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID15828883
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1cc2n(c1CN1CCCCC1)CCn1c(CN3CCCCC3)ccc1-2
InChIInChI=1S/C23H34N4/c1-19-16-22-21-9-8-20(17-24-10-4-2-5-11-24)26(21)14-15-27(22)23(19)18-25-12-6-3-7-13-25/h8-9,16H,2-7,10-15,17-18H2,1H3
InChIKeyTYPFABDCIWQNAI-UHFFFAOYSA-N
XLogP4.25
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 15828883) is 4-methyl-5,10-bis(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-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Cc1cc2n(c1CN1CCCCC1)CCn1c(CN3CCCCC3)ccc1-2.
What is the InChIKey of 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is TYPFABDCIWQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-19-16-22-21-9-8-20(17-24-10-4-2-5-11-24)26(21)14-15-27(22)23(19)18-25-12-6-3-7-13-25/h8-9,16H,2-7,10-15,17-18H2,1H3.
What are the key properties of 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 366.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 15828883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).