1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol

C12H21N5O — CID 112746292

IUPAC1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIIKJYRKHCWADGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.76
Rot. Bonds3

About 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol

1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (PubChem CID 112746292) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
PubChem CID112746292
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIIKJYRKHCWADGA-UHFFFAOYSA-N
XLogP0.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978
4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 81114967
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409163
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (CID 112746292) is 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is CCCc1nc(N)nc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is IIKJYRKHCWADGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 112746292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).