[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol

C14H26N6O — CID 80775466

IUPAC[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCCCNc1nc(N(C)C)nc(N2CCCC(CO)C2)n1
InChIInChI=1S/C14H26N6O/c1-4-7-15-12-16-13(19(2)3)18-14(17-12)20-8-5-6-11(9-20)10-21/h11,21H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyAJNVTGBPLFWHFX-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.97
Rot. Bonds6

About [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol

[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (PubChem CID 80775466) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
PubChem CID80775466
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCCCNc1nc(N(C)C)nc(N2CCCC(CO)C2)n1
InChIInChI=1S/C14H26N6O/c1-4-7-15-12-16-13(19(2)3)18-14(17-12)20-8-5-6-11(9-20)10-21/h11,21H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyAJNVTGBPLFWHFX-UHFFFAOYSA-N
XLogP0.97
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (CID 80775466) is [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is CCCNc1nc(N(C)C)nc(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The InChIKey is AJNVTGBPLFWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-7-15-12-16-13(19(2)3)18-14(17-12)20-8-5-6-11(9-20)10-21/h11,21H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
[1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 80775466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).