N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine

C13H22ClN5O — CID 63241854

IUPACN-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCOc1nc(Cl)nc(N2CCCC(CNC(C)C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-9(2)15-7-10-5-4-6-19(8-10)12-16-11(14)17-13(18-12)20-3/h9-10,15H,4-8H2,1-3H3
InChIKeyPMLPGMIBTBVZPT-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241854) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241854
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC NameN-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCOc1nc(Cl)nc(N2CCCC(CNC(C)C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-9(2)15-7-10-5-4-6-19(8-10)12-16-11(14)17-13(18-12)20-3/h9-10,15H,4-8H2,1-3H3
InChIKeyPMLPGMIBTBVZPT-UHFFFAOYSA-N
XLogP1.75
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine (CID 63241854) is N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine is COc1nc(Cl)nc(N2CCCC(CNC(C)C)C2)n1.
What is the InChIKey of N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is PMLPGMIBTBVZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-9(2)15-7-10-5-4-6-19(8-10)12-16-11(14)17-13(18-12)20-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).