4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C12H17ClF3N5 — CID 62865005

IUPAC4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-20(8-12(14,15)16)10-17-9(13)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3
InChIKeyQRIMUQYOOBRTPN-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62865005) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62865005
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-20(8-12(14,15)16)10-17-9(13)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3
InChIKeyQRIMUQYOOBRTPN-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2,4-Dichloro-6-(1-piperidinyl)-1,3,5-triazine
CID 209165
N,N,N',N'-tetramethyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine
CID 969866
2-Chloro-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 224972
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
N,N-Dibutyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 13628700
2,4-Difluoro-6-(piperidin-1-yl)-1,3,5-triazine
CID 19897295
4,6-difluoro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 54181313
2,4-Dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
CID 118936960
2-Chloro-4-(4,4-difluoropiperidin-1-yl)-1,3,5-triazine
CID 169238478
2-Chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
CID 172727724
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 177318021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62865005) is 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is QRIMUQYOOBRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-2-20(8-12(14,15)16)10-17-9(13)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3.
What are the key properties of 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 323.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).