4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine

C23H38N4O — CID 170180705

IUPAC4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCC1CCN(c2ccnc(OC3CCN(CC4CCN(C)CC4)CC3)c2)CC1
InChIInChI=1S/C23H38N4O/c1-19-4-15-27(16-5-19)21-3-10-24-23(17-21)28-22-8-13-26(14-9-22)18-20-6-11-25(2)12-7-20/h3,10,17,19-20,22H,4-9,11-16,18H2,1-2H3
InChIKeyUYVYEOFSATXYQR-UHFFFAOYSA-N
MW386.58 g/mol
LogP3.50
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine

4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine (PubChem CID 170180705) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine
PubChem CID170180705
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCC1CCN(c2ccnc(OC3CCN(CC4CCN(C)CC4)CC3)c2)CC1
InChIInChI=1S/C23H38N4O/c1-19-4-15-27(16-5-19)21-3-10-24-23(17-21)28-22-8-13-26(14-9-22)18-20-6-11-25(2)12-7-20/h3,10,17,19-20,22H,4-9,11-16,18H2,1-2H3
InChIKeyUYVYEOFSATXYQR-UHFFFAOYSA-N
XLogP3.50
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine (CID 170180705) is 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine is CC1CCN(c2ccnc(OC3CCN(CC4CCN(C)CC4)CC3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine?
The InChIKey is UYVYEOFSATXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-19-4-15-27(16-5-19)21-3-10-24-23(17-21)28-22-8-13-26(14-9-22)18-20-6-11-25(2)12-7-20/h3,10,17,19-20,22H,4-9,11-16,18H2,1-2H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine?
4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine has a molecular weight of 386.58 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 170180705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).