(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine

C24H26N6 — CID 143910491

IUPAC(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine
SMILESN/C=C(\N)c1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12
InChIInChI=1S/C24H26N6/c25-12-21(26)22-11-19-20-10-18(13-28-24(20)29-23(19)14-27-22)17-6-4-16(5-7-17)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15,25-26H2,(H,28,29)/b21-12-
InChIKeyVNIVLZWCZBVKSC-MTJSOVHGSA-N
MW398.51 g/mol
LogP3.98
Rot. Bonds4

About (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine

(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine (PubChem CID 143910491) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine
PubChem CID143910491
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine
SMILESN/C=C(\N)c1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12
InChIInChI=1S/C24H26N6/c25-12-21(26)22-11-19-20-10-18(13-28-24(20)29-23(19)14-27-22)17-6-4-16(5-7-17)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15,25-26H2,(H,28,29)/b21-12-
InChIKeyVNIVLZWCZBVKSC-MTJSOVHGSA-N
XLogP3.98
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine (CID 143910491) is (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine is N/C=C(\N)c1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12.
What is the InChIKey of (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine?
The InChIKey is VNIVLZWCZBVKSC-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H26N6/c25-12-21(26)22-11-19-20-10-18(13-28-24(20)29-23(19)14-27-22)17-6-4-16(5-7-17)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15,25-26H2,(H,28,29)/b21-12-.
What are the key properties of (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine?
(Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine has a molecular weight of 398.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]ethene-1,2-diamine is sourced from PubChem (CID 143910491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).