1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol

C9H12Cl2N4O — CID 114679663

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Cl)nc(Cl)n2)CCC1O
InChIInChI=1S/C9H12Cl2N4O/c1-5-4-15(3-2-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3
InChIKeyHFLWFPJNPDJHQR-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.39
Rot. Bonds1

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol

1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol (PubChem CID 114679663) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
PubChem CID114679663
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Cl)nc(Cl)n2)CCC1O
InChIInChI=1S/C9H12Cl2N4O/c1-5-4-15(3-2-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3
InChIKeyHFLWFPJNPDJHQR-UHFFFAOYSA-N
XLogP1.39
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114679678
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971210
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114679717
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114684030
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678499
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-amine
CID 129011540
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol (CID 114679663) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol is CC1CN(c2nc(Cl)nc(Cl)n2)CCC1O.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is HFLWFPJNPDJHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-5-4-15(3-2-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 263.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).