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

C11H18ClN5O — CID 63595725

IUPAC1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
SMILESCOc1nc(Cl)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C11H18ClN5O/c1-7(13)8-3-5-17(6-4-8)10-14-9(12)15-11(16-10)18-2/h7-8H,3-6,13H2,1-2H3
InChIKeyIGWKURLJMVBJPW-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.10
Rot. Bonds3

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

1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine (PubChem CID 63595725) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
PubChem CID63595725
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
SMILESCOc1nc(Cl)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C11H18ClN5O/c1-7(13)8-3-5-17(6-4-8)10-14-9(12)15-11(16-10)18-2/h7-8H,3-6,13H2,1-2H3
InChIKeyIGWKURLJMVBJPW-UHFFFAOYSA-N
XLogP1.10
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 106838427
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171298
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62862691
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241854
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62863254
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517
(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine (CID 63595725) is 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine is COc1nc(Cl)nc(N2CCC(C(C)N)CC2)n1.
What is the InChIKey of 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is IGWKURLJMVBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-7(13)8-3-5-17(6-4-8)10-14-9(12)15-11(16-10)18-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 271.75 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).