6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C34H43N7 — CID 14950926

IUPAC6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N2CCC(NCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C34H43N7/c1-5-21-39(22-6-2)32-36-33(40(23-7-3)24-8-4)38-34(37-32)41-25-19-30(20-26-41)35-27-31(28-15-11-9-12-16-28)29-17-13-10-14-18-29/h5-18,30-31,35H,1-4,19-27H2
InChIKeyHZTWNJQTAFNDOL-UHFFFAOYSA-N
MW549.77 g/mol
LogP5.62
Rot. Bonds16

About 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14950926) has the molecular formula C34H43N7 and a molecular weight of 549.77 g/mol. Its IUPAC name is 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID14950926
Molecular FormulaC34H43N7
Molecular Weight549.77 g/mol
Exact Mass549.36
IUPAC Name6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N2CCC(NCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C34H43N7/c1-5-21-39(22-6-2)32-36-33(40(23-7-3)24-8-4)38-34(37-32)41-25-19-30(20-26-41)35-27-31(28-15-11-9-12-16-28)29-17-13-10-14-18-29/h5-18,30-31,35H,1-4,19-27H2
InChIKeyHZTWNJQTAFNDOL-UHFFFAOYSA-N
XLogP5.62
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.77
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 14950926) is 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N2CCC(NCC(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HZTWNJQTAFNDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7/c1-5-21-39(22-6-2)32-36-33(40(23-7-3)24-8-4)38-34(37-32)41-25-19-30(20-26-41)35-27-31(28-15-11-9-12-16-28)29-17-13-10-14-18-29/h5-18,30-31,35H,1-4,19-27H2.
What are the key properties of 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 549.77 g/mol, XLogP of 5.62, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-diphenylethylamino)piperidin-1-yl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14950926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).