2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C11H17ClN4O2 — CID 63392500

IUPAC2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(CCl)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-4-8(6-12)7-16/h8H,3-7H2,1-2H3
InChIKeyMQGHZOKPXAKQLD-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.34
Rot. Bonds4

About 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 63392500) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID63392500
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(CCl)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-4-8(6-12)7-16/h8H,3-7H2,1-2H3
InChIKeyMQGHZOKPXAKQLD-UHFFFAOYSA-N
XLogP1.34
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 63392500) is 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCCC(CCl)C2)n1.
What is the InChIKey of 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is MQGHZOKPXAKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-4-8(6-12)7-16/h8H,3-7H2,1-2H3.
What are the key properties of 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 272.74 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 63392500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).