N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine

C14H25ClN6 — CID 62870217

IUPACN-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-3-20(4-2)11-8-16-13-17-12(15)18-14(19-13)21-9-6-5-7-10-21/h3-11H2,1-2H3,(H,16,17,18,19)
InChIKeySTCKPYYGSZKDKF-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.27
Rot. Bonds7

About N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine

N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 62870217) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID62870217
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC NameN-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-3-20(4-2)11-8-16-13-17-12(15)18-14(19-13)21-9-6-5-7-10-21/h3-11H2,1-2H3,(H,16,17,18,19)
InChIKeySTCKPYYGSZKDKF-UHFFFAOYSA-N
XLogP2.27
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine with MolForge

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Related Compounds

N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106196907
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine (CID 62870217) is N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is STCKPYYGSZKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6/c1-3-20(4-2)11-8-16-13-17-12(15)18-14(19-13)21-9-6-5-7-10-21/h3-11H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 312.85 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 62870217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).