4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C18H25N5O — CID 143533585

IUPAC4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCCc2nc(N)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)6-5-7-16-20-17(19)22-18(21-16)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H2,19,20,21,22)
InChIKeyJFXCDNRVXHCSBB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds6

About 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 143533585) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID143533585
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCCc2nc(N)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)6-5-7-16-20-17(19)22-18(21-16)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H2,19,20,21,22)
InChIKeyJFXCDNRVXHCSBB-UHFFFAOYSA-N
XLogP2.63
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
1-(4-methoxyphenyl)piperidine
CID 10130315
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
CID 142789376
4-(benzylsulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 101455332
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865749
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79738256
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 143533585) is 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(CCCc2nc(N)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JFXCDNRVXHCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)6-5-7-16-20-17(19)22-18(21-16)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 143533585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).