4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H20ClN5 — CID 14813048

IUPAC4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3
InChIKeyKOPOHCFCXZOKFZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.36
Rot. Bonds4

About 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 14813048) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID14813048
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3
InChIKeyKOPOHCFCXZOKFZ-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 14813048) is 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KOPOHCFCXZOKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14813048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).