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

C8H11ClN4 — CID 53215431

IUPAC2-chloro-4-piperidin-1-yl-1,3,5-triazine
SMILESClc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C8H11ClN4/c9-7-10-6-11-8(12-7)13-4-2-1-3-5-13/h6H,1-5H2
InChIKeyMMNSKIFODNSFSQ-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.52
Rot. Bonds1

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

2-chloro-4-piperidin-1-yl-1,3,5-triazine (PubChem CID 53215431) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-yl-1,3,5-triazine
PubChem CID53215431
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-chloro-4-piperidin-1-yl-1,3,5-triazine
SMILESClc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C8H11ClN4/c9-7-10-6-11-8(12-7)13-4-2-1-3-5-13/h6H,1-5H2
InChIKeyMMNSKIFODNSFSQ-UHFFFAOYSA-N
XLogP1.52
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-piperidin-1-yl-1,3,5-triazine (CID 53215431) is 2-chloro-4-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-piperidin-1-yl-1,3,5-triazine is Clc1ncnc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-piperidin-1-yl-1,3,5-triazine?
The InChIKey is MMNSKIFODNSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-10-6-11-8(12-7)13-4-2-1-3-5-13/h6H,1-5H2.
What are the key properties of 2-chloro-4-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-piperidin-1-yl-1,3,5-triazine has a molecular weight of 198.66 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 53215431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).