4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H20ClN5O — CID 4874050

IUPAC4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(OCCCl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-17(2)10-14-11(18-7-4-3-5-8-18)16-12(15-10)19-9-6-13/h3-9H2,1-2H3
InChIKeyXACLUMQMWXVDFB-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.55
Rot. Bonds5

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

4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 4874050) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID4874050
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(OCCCl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-17(2)10-14-11(18-7-4-3-5-8-18)16-12(15-10)19-9-6-13/h3-9H2,1-2H3
InChIKeyXACLUMQMWXVDFB-UHFFFAOYSA-N
XLogP1.55
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.55
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 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 4874050) is 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CN(C)c1nc(OCCCl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XACLUMQMWXVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-17(2)10-14-11(18-7-4-3-5-8-18)16-12(15-10)19-9-6-13/h3-9H2,1-2H3.
What are the key properties of 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 4874050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).