4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C20H22N6 — CID 712288

IUPAC4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H22N6/c21-18-22-19(25-14-8-3-9-15-25)24-20(23-18)26(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,21,22,23,24)
InChIKeySWRLSFMRCDKQRT-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.91
Rot. Bonds4

About 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 712288) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID712288
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H22N6/c21-18-22-19(25-14-8-3-9-15-25)24-20(23-18)26(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,21,22,23,24)
InChIKeySWRLSFMRCDKQRT-UHFFFAOYSA-N
XLogP3.91
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 712288) is 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SWRLSFMRCDKQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c21-18-22-19(25-14-8-3-9-15-25)24-20(23-18)26(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,21,22,23,24).
What are the key properties of 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diphenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 712288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).