2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine

C22H31N5O — CID 46958283

IUPAC2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCC1CCN(c2ncc(CN3CCC(COc4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-5-12-27(13-6-18)22-24-14-20(15-25-22)16-26-10-7-19(8-11-26)17-28-21-4-2-3-9-23-21/h2-4,9,14-15,18-19H,5-8,10-13,16-17H2,1H3
InChIKeyZOBYPXMSCHESAO-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine

2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 46958283) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID46958283
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCC1CCN(c2ncc(CN3CCC(COc4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-5-12-27(13-6-18)22-24-14-20(15-25-22)16-26-10-7-19(8-11-26)17-28-21-4-2-3-9-23-21/h2-4,9,14-15,18-19H,5-8,10-13,16-17H2,1H3
InChIKeyZOBYPXMSCHESAO-UHFFFAOYSA-N
XLogP3.40
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine (CID 46958283) is 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine is CC1CCN(c2ncc(CN3CCC(COc4ccccn4)CC3)cn2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is ZOBYPXMSCHESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-18-5-12-27(13-6-18)22-24-14-20(15-25-22)16-26-10-7-19(8-11-26)17-28-21-4-2-3-9-23-21/h2-4,9,14-15,18-19H,5-8,10-13,16-17H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine?
2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 381.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 46958283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).