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

C15H22N6 — CID 3755036

IUPAC7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCN1CCCCC1
InChIInChI=1S/C15H22N6/c1-12-13-5-8-20(10-9-19-6-3-2-4-7-19)14(13)21-15(18-12)16-11-17-21/h11H,2-10H2,1H3
InChIKeyCSYHUNBSXVWNQW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.28
Rot. Bonds3

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

7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 3755036) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID3755036
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CCN1CCCCC1
InChIInChI=1S/C15H22N6/c1-12-13-5-8-20(10-9-19-6-3-2-4-7-19)14(13)21-15(18-12)16-11-17-21/h11H,2-10H2,1H3
InChIKeyCSYHUNBSXVWNQW-UHFFFAOYSA-N
XLogP1.28
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 3755036) is 7-methyl-3-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CCN2CCN1CCCCC1.
What is the InChIKey of 7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is CSYHUNBSXVWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-13-5-8-20(10-9-19-6-3-2-4-7-19)14(13)21-15(18-12)16-11-17-21/h11H,2-10H2,1H3.
What are the key properties of 7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 286.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-piperidin-1-ylethyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 3755036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).