4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C14H16ClN5 — CID 836972

IUPAC4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17,18,19)
InChIKeyWBCIXTQLRTTWMJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 836972) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID836972
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17,18,19)
InChIKeyWBCIXTQLRTTWMJ-UHFFFAOYSA-N
XLogP3.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 836972) is 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WBCIXTQLRTTWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).