10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine

C21H23N7 — CID 150226088

IUPAC10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
SMILESCCN1CCC(c2ccc(-c3nc(N)nc4c3ccc3nncn34)cc2)CC1
InChIInChI=1S/C21H23N7/c1-2-27-11-9-15(10-12-27)14-3-5-16(6-4-14)19-17-7-8-18-26-23-13-28(18)20(17)25-21(22)24-19/h3-8,13,15H,2,9-12H2,1H3,(H2,22,24,25)
InChIKeyFUMMAJQETSWZLV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.12
Rot. Bonds3

About 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine

10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine (PubChem CID 150226088) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine.

Molecular Properties

Compound Name10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
PubChem CID150226088
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
SMILESCCN1CCC(c2ccc(-c3nc(N)nc4c3ccc3nncn34)cc2)CC1
InChIInChI=1S/C21H23N7/c1-2-27-11-9-15(10-12-27)14-3-5-16(6-4-14)19-17-7-8-18-26-23-13-28(18)20(17)25-21(22)24-19/h3-8,13,15H,2,9-12H2,1H3,(H2,22,24,25)
InChIKeyFUMMAJQETSWZLV-UHFFFAOYSA-N
XLogP3.12
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine?
The IUPAC name of 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine (CID 150226088) is 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine.
What is the SMILES notation for 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine?
The canonical SMILES for 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine is CCN1CCC(c2ccc(-c3nc(N)nc4c3ccc3nncn34)cc2)CC1.
What is the InChIKey of 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine?
The InChIKey is FUMMAJQETSWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-27-11-9-15(10-12-27)14-3-5-16(6-4-14)19-17-7-8-18-26-23-13-28(18)20(17)25-21(22)24-19/h3-8,13,15H,2,9-12H2,1H3,(H2,22,24,25).
What are the key properties of 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine?
10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine has a molecular weight of 373.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine is sourced from PubChem (CID 150226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).