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

C17H29N5O2 — CID 133397690

IUPAC1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
SMILESCOc1nc(N2CCCCCC2)nc(N2CCCC(C(C)O)C2)n1
InChIInChI=1S/C17H29N5O2/c1-13(23)14-8-7-11-22(12-14)16-18-15(19-17(20-16)24-2)21-9-5-3-4-6-10-21/h13-14,23H,3-12H2,1-2H3
InChIKeyGTHHGODUJMBVNX-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.86
Rot. Bonds4

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

1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol (PubChem CID 133397690) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
PubChem CID133397690
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
SMILESCOc1nc(N2CCCCCC2)nc(N2CCCC(C(C)O)C2)n1
InChIInChI=1S/C17H29N5O2/c1-13(23)14-8-7-11-22(12-14)16-18-15(19-17(20-16)24-2)21-9-5-3-4-6-10-21/h13-14,23H,3-12H2,1-2H3
InChIKeyGTHHGODUJMBVNX-UHFFFAOYSA-N
XLogP1.86
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384627
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
CID 133486119
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
CID 133344788
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 143257916
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol (CID 133397690) is 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol is COc1nc(N2CCCCCC2)nc(N2CCCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol?
The InChIKey is GTHHGODUJMBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(23)14-8-7-11-22(12-14)16-18-15(19-17(20-16)24-2)21-9-5-3-4-6-10-21/h13-14,23H,3-12H2,1-2H3.
What are the key properties of 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol?
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol has a molecular weight of 335.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 133397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).