1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol

C14H25N5O2 — CID 114684040

IUPAC1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
SMILESCCCOc1nc(NCC)nc(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H25N5O2/c1-4-8-21-14-17-12(15-5-2)16-13(18-14)19-7-6-11(20)10(3)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyWYWCTHQHJLANBT-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.30
Rot. Bonds6

About 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol

1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol (PubChem CID 114684040) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
PubChem CID114684040
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
SMILESCCCOc1nc(NCC)nc(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H25N5O2/c1-4-8-21-14-17-12(15-5-2)16-13(18-14)19-7-6-11(20)10(3)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyWYWCTHQHJLANBT-UHFFFAOYSA-N
XLogP1.30
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80810981
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971920
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81465005
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol (CID 114684040) is 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol is CCCOc1nc(NCC)nc(N2CCC(O)C(C)C2)n1.
What is the InChIKey of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The InChIKey is WYWCTHQHJLANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-8-21-14-17-12(15-5-2)16-13(18-14)19-7-6-11(20)10(3)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol has a molecular weight of 295.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114684040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).