2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine

C14H16ClN5 — CID 104737099

IUPAC2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
SMILESClc1nc(Cc2cccnc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-13-17-12(9-11-5-4-6-16-10-11)18-14(19-13)20-7-2-1-3-8-20/h4-6,10H,1-3,7-9H2
InChIKeyODOIRNFEMSWQCG-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine

2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine (PubChem CID 104737099) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
PubChem CID104737099
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
SMILESClc1nc(Cc2cccnc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-13-17-12(9-11-5-4-6-16-10-11)18-14(19-13)20-7-2-1-3-8-20/h4-6,10H,1-3,7-9H2
InChIKeyODOIRNFEMSWQCG-UHFFFAOYSA-N
XLogP2.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(pyridin-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 104737277
2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737125
4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 783137
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50972618
2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 62867380
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine (CID 104737099) is 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine is Clc1nc(Cc2cccnc2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The InChIKey is ODOIRNFEMSWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-13-17-12(9-11-5-4-6-16-10-11)18-14(19-13)20-7-2-1-3-8-20/h4-6,10H,1-3,7-9H2.
What are the key properties of 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine has a molecular weight of 289.77 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 104737099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).