1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol

C14H24ClN5O — CID 79378246

IUPAC1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-4-19(10-14(2,3)21)12-16-11(15)17-13(18-12)20-8-6-5-7-9-20/h21H,4-10H2,1-3H3
InChIKeyYEPAGJLGCGVBCS-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.11
Rot. Bonds5

About 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol

1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79378246) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79378246
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-4-19(10-14(2,3)21)12-16-11(15)17-13(18-12)20-8-6-5-7-9-20/h21H,4-10H2,1-3H3
InChIKeyYEPAGJLGCGVBCS-UHFFFAOYSA-N
XLogP2.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80789831
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
CID 62863161
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 79378246) is 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is YEPAGJLGCGVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-4-19(10-14(2,3)21)12-16-11(15)17-13(18-12)20-8-6-5-7-9-20/h21H,4-10H2,1-3H3.
What are the key properties of 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 313.83 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79378246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).