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N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

C17H19N9 — CID 135998069

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCN1CCC(Nc2ncc3c(n2)Nc2ccccc2-n2nnnc2-3)CC1
InChIInChI=1S/C17H19N9/c1-25-8-6-11(7-9-25)19-17-18-10-12-15(21-17)20-13-4-2-3-5-14(13)26-16(12)22-23-24-26/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20,21)
InChIKeyQNIZQYOMVYWKPN-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.68
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (PubChem CID 135998069) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
PubChem CID135998069
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC NameN-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCN1CCC(Nc2ncc3c(n2)Nc2ccccc2-n2nnnc2-3)CC1
InChIInChI=1S/C17H19N9/c1-25-8-6-11(7-9-25)19-17-18-10-12-15(21-17)20-13-4-2-3-5-14(13)26-16(12)22-23-24-26/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20,21)
InChIKeyQNIZQYOMVYWKPN-UHFFFAOYSA-N
XLogP1.68
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (CID 135998069) is N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is CN1CCC(Nc2ncc3c(n2)Nc2ccccc2-n2nnnc2-3)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The InChIKey is QNIZQYOMVYWKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-25-8-6-11(7-9-25)19-17-18-10-12-15(21-17)20-13-4-2-3-5-14(13)26-16(12)22-23-24-26/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine has a molecular weight of 349.40 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is sourced from PubChem (CID 135998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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