4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine

C29H35N3O2 — CID 127024905

IUPAC4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-22-2-6-26(7-3-22)29-28(18-27(19-31-29)34-21-24-10-12-30-13-11-24)25-8-4-23(5-9-25)20-32-14-16-33-17-15-32/h2-9,18-19,24,30H,10-17,20-21H2,1H3
InChIKeyJUQVMTDJTHTBTD-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.93
Rot. Bonds7

About 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine

4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine (PubChem CID 127024905) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine
PubChem CID127024905
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-22-2-6-26(7-3-22)29-28(18-27(19-31-29)34-21-24-10-12-30-13-11-24)25-8-4-23(5-9-25)20-32-14-16-33-17-15-32/h2-9,18-19,24,30H,10-17,20-21H2,1H3
InChIKeyJUQVMTDJTHTBTD-UHFFFAOYSA-N
XLogP4.93
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine (CID 127024905) is 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine is Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine?
The InChIKey is JUQVMTDJTHTBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-22-2-6-26(7-3-22)29-28(18-27(19-31-29)34-21-24-10-12-30-13-11-24)25-8-4-23(5-9-25)20-32-14-16-33-17-15-32/h2-9,18-19,24,30H,10-17,20-21H2,1H3.
What are the key properties of 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine?
4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine has a molecular weight of 457.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine is sourced from PubChem (CID 127024905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).