N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine

C16H29N5O — CID 2281190

IUPACN-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCCCNc1nc(OC)nc(N2CCCCC2)n1
InChIInChI=1S/C16H29N5O/c1-3-4-5-6-8-11-17-14-18-15(20-16(19-14)22-2)21-12-9-7-10-13-21/h3-13H2,1-2H3,(H,17,18,19,20)
InChIKeyIBZOMHPKUSYSEK-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.25
Rot. Bonds9

About N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 2281190) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID2281190
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCCCNc1nc(OC)nc(N2CCCCC2)n1
InChIInChI=1S/C16H29N5O/c1-3-4-5-6-8-11-17-14-18-15(20-16(19-14)22-2)21-12-9-7-10-13-21/h3-13H2,1-2H3,(H,17,18,19,20)
InChIKeyIBZOMHPKUSYSEK-UHFFFAOYSA-N
XLogP3.25
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 2281190) is N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCCCCCCNc1nc(OC)nc(N2CCCCC2)n1.
What is the InChIKey of N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IBZOMHPKUSYSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-4-5-6-8-11-17-14-18-15(20-16(19-14)22-2)21-12-9-7-10-13-21/h3-13H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2281190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).