1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol

C10H10Br6N4O — CID 15217196

IUPAC1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n2)CC1
InChIInChI=1S/C10H10Br6N4O/c11-9(12,13)6-17-7(10(14,15)16)19-8(18-6)20-3-1-5(21)2-4-20/h5,21H,1-4H2
InChIKeyNIAOPWQTXLEFCB-UHFFFAOYSA-N
MW681.64 g/mol
LogP4.42
Rot. Bonds1

About 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol

1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 15217196) has the molecular formula C10H10Br6N4O and a molecular weight of 681.64 g/mol. Its IUPAC name is 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID15217196
Molecular FormulaC10H10Br6N4O
Molecular Weight681.64 g/mol
Exact Mass675.60
IUPAC Name1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n2)CC1
InChIInChI=1S/C10H10Br6N4O/c11-9(12,13)6-17-7(10(14,15)16)19-8(18-6)20-3-1-5(21)2-4-20/h5,21H,1-4H2
InChIKeyNIAOPWQTXLEFCB-UHFFFAOYSA-N
XLogP4.42
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.64
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol (CID 15217196) is 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol is OC1CCN(c2nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n2)CC1.
What is the InChIKey of 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is NIAOPWQTXLEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br6N4O/c11-9(12,13)6-17-7(10(14,15)16)19-8(18-6)20-3-1-5(21)2-4-20/h5,21H,1-4H2.
What are the key properties of 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol?
1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 681.64 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 15217196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).