7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C16H24N6 — CID 12666103

IUPAC7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCCN1CCCCC1
InChIInChI=1S/C16H24N6/c1-13-14-6-11-21(10-5-9-20-7-3-2-4-8-20)15(14)22-16(19-13)17-12-18-22/h12H,2-11H2,1H3
InChIKeyAWLCHLBUXHCKHQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.67
Rot. Bonds4

About 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12666103) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12666103
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCCN1CCCCC1
InChIInChI=1S/C16H24N6/c1-13-14-6-11-21(10-5-9-20-7-3-2-4-8-20)15(14)22-16(19-13)17-12-18-22/h12H,2-11H2,1H3
InChIKeyAWLCHLBUXHCKHQ-UHFFFAOYSA-N
XLogP1.67
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12666103) is 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CCN2CCCN1CCCCC1.
What is the InChIKey of 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is AWLCHLBUXHCKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-13-14-6-11-21(10-5-9-20-7-3-2-4-8-20)15(14)22-16(19-13)17-12-18-22/h12H,2-11H2,1H3.
What are the key properties of 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 300.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-piperidin-1-ylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12666103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).