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

C14H22ClN5O — CID 102865890

IUPAC2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)nc(N2CCCCC2)n1)C1CCC1
InChIInChI=1S/C14H22ClN5O/c15-12-16-13(19-7-2-1-3-8-19)18-14(17-12)20(9-10-21)11-5-4-6-11/h11,21H,1-10H2
InChIKeyDRULEIITRMERRM-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.87
Rot. Bonds5

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

2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol (PubChem CID 102865890) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
PubChem CID102865890
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)nc(N2CCCCC2)n1)C1CCC1
InChIInChI=1S/C14H22ClN5O/c15-12-16-13(19-7-2-1-3-8-19)18-14(17-12)20(9-10-21)11-5-4-6-11/h11,21H,1-10H2
InChIKeyDRULEIITRMERRM-UHFFFAOYSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865870
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
CID 80810678
3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
CID 62862736
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102865831
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol (CID 102865890) is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol is OCCN(c1nc(Cl)nc(N2CCCCC2)n1)C1CCC1.
What is the InChIKey of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The InChIKey is DRULEIITRMERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c15-12-16-13(19-7-2-1-3-8-19)18-14(17-12)20(9-10-21)11-5-4-6-11/h11,21H,1-10H2.
What are the key properties of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol has a molecular weight of 311.82 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).