2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine

C18H24N4O — CID 21256754

IUPAC2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
SMILESCc1nc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-15-19-17(16-9-4-2-5-10-16)21-18(20-15)23-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyZYMNNZVSUGCMHC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.10
Rot. Bonds6

About 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine

2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine (PubChem CID 21256754) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
PubChem CID21256754
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
SMILESCc1nc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-15-19-17(16-9-4-2-5-10-16)21-18(20-15)23-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyZYMNNZVSUGCMHC-UHFFFAOYSA-N
XLogP3.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-5,6,7,8-tetrahydroquinazoline
CID 118723359
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 90720781
4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722997
4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723351
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
CID 3070797
4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
CID 118723000
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
5-chloro-2-(4-fluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine (CID 21256754) is 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine is Cc1nc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine?
The InChIKey is ZYMNNZVSUGCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-19-17(16-9-4-2-5-10-16)21-18(20-15)23-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10H,3,6-8,11-14H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine?
2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine has a molecular weight of 312.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine is sourced from PubChem (CID 21256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).