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

C12H20ClN5O2 — CID 62864714

IUPAC2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O2/c13-10-15-11(14-4-8-20-9-7-19)17-12(16-10)18-5-2-1-3-6-18/h19H,1-9H2,(H,14,15,16,17)
InChIKeyBVCKZXTXNUDYTM-UHFFFAOYSA-N
MW301.78 g/mol
LogP0.94
Rot. Bonds7

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

2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (PubChem CID 62864714) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
PubChem CID62864714
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC Name2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O2/c13-10-15-11(14-4-8-20-9-7-19)17-12(16-10)18-5-2-1-3-6-18/h19H,1-9H2,(H,14,15,16,17)
InChIKeyBVCKZXTXNUDYTM-UHFFFAOYSA-N
XLogP0.94
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol with MolForge

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Related Compounds

N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106196907
2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80802003
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (CID 62864714) is 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is OCCOCCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The InChIKey is BVCKZXTXNUDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c13-10-15-11(14-4-8-20-9-7-19)17-12(16-10)18-5-2-1-3-6-18/h19H,1-9H2,(H,14,15,16,17).
What are the key properties of 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol has a molecular weight of 301.78 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 62864714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).