4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine

C25H29N3O2 — CID 71769667

IUPAC4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1
InChIInChI=1S/C25H29N3O2/c1-18-14-20(28-25(26)15-18)17-30-24-9-5-3-7-22(24)21-6-2-4-8-23(21)29-16-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13,16-17H2,1H3,(H2,26,28)
InChIKeyQEIUTDRDWHQLTJ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.60
Rot. Bonds7

About 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine

4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine (PubChem CID 71769667) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine
PubChem CID71769667
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1
InChIInChI=1S/C25H29N3O2/c1-18-14-20(28-25(26)15-18)17-30-24-9-5-3-7-22(24)21-6-2-4-8-23(21)29-16-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13,16-17H2,1H3,(H2,26,28)
InChIKeyQEIUTDRDWHQLTJ-UHFFFAOYSA-N
XLogP4.60
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine (CID 71769667) is 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine is Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1.
What is the InChIKey of 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine?
The InChIKey is QEIUTDRDWHQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-14-20(28-25(26)15-18)17-30-24-9-5-3-7-22(24)21-6-2-4-8-23(21)29-16-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13,16-17H2,1H3,(H2,26,28).
What are the key properties of 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine?
4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine is sourced from PubChem (CID 71769667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).