4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

C11H18ClN5O — CID 55124854

IUPAC4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-6-4-8(18-3)5-7-17/h8H,4-7H2,1-3H3
InChIKeyVYRUFBQWEMRQHV-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.21
Rot. Bonds3

About 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55124854) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55124854
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-6-4-8(18-3)5-7-17/h8H,4-7H2,1-3H3
InChIKeyVYRUFBQWEMRQHV-UHFFFAOYSA-N
XLogP1.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55124854) is 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is COC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is VYRUFBQWEMRQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-6-4-8(18-3)5-7-17/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).