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

C12H15ClN6O — CID 62864398

IUPAC[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H15ClN6O/c13-10-15-11(18-4-1-2-9(6-18)7-20)17-12(16-10)19-5-3-14-8-19/h3,5,8-9,20H,1-2,4,6-7H2
InChIKeyZWSDDHMYXKXMKT-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.92
Rot. Bonds3

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

[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol (PubChem CID 62864398) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
PubChem CID62864398
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H15ClN6O/c13-10-15-11(18-4-1-2-9(6-18)7-20)17-12(16-10)19-5-3-14-8-19/h3,5,8-9,20H,1-2,4,6-7H2
InChIKeyZWSDDHMYXKXMKT-UHFFFAOYSA-N
XLogP0.92
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
2-chloro-4-(3,4-dimethylpiperazin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 63605104
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115965991
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102891460

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol (CID 62864398) is [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol is OCC1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is ZWSDDHMYXKXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-15-11(18-4-1-2-9(6-18)7-20)17-12(16-10)19-5-3-14-8-19/h3,5,8-9,20H,1-2,4,6-7H2.
What are the key properties of [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 294.75 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 62864398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).