2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine

C12H19ClN4 — CID 106659250

IUPAC2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
SMILESCCCCc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-2-3-7-10-14-11(13)16-12(15-10)17-8-5-4-6-9-17/h2-9H2,1H3
InChIKeyIPLMXZOUJMSFPU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.86
Rot. Bonds4

About 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine

2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 106659250) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
PubChem CID106659250
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
SMILESCCCCc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-2-3-7-10-14-11(13)16-12(15-10)17-8-5-4-6-9-17/h2-9H2,1H3
InChIKeyIPLMXZOUJMSFPU-UHFFFAOYSA-N
XLogP2.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106028150
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine (CID 106659250) is 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine is CCCCc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is IPLMXZOUJMSFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-2-3-7-10-14-11(13)16-12(15-10)17-8-5-4-6-9-17/h2-9H2,1H3.
What are the key properties of 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 254.76 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 106659250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).