N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline

C23H33N5 — CID 67678903

IUPACN-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline
SMILESCNc1ccc(CN2CCC(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H33N5/c1-18-16-22(26-23(25-18)28-12-4-3-5-13-28)20-10-14-27(15-11-20)17-19-6-8-21(24-2)9-7-19/h6-9,16,20,24H,3-5,10-15,17H2,1-2H3
InChIKeyQQGOPURVQCLZMZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.20
Rot. Bonds5

About N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline

N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline (PubChem CID 67678903) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline
PubChem CID67678903
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline
SMILESCNc1ccc(CN2CCC(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H33N5/c1-18-16-22(26-23(25-18)28-12-4-3-5-13-28)20-10-14-27(15-11-20)17-19-6-8-21(24-2)9-7-19/h6-9,16,20,24H,3-5,10-15,17H2,1-2H3
InChIKeyQQGOPURVQCLZMZ-UHFFFAOYSA-N
XLogP4.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline?
The IUPAC name of N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline (CID 67678903) is N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline.
What is the SMILES notation for N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline?
The canonical SMILES for N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline is CNc1ccc(CN2CCC(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1.
What is the InChIKey of N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline?
The InChIKey is QQGOPURVQCLZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-18-16-22(26-23(25-18)28-12-4-3-5-13-28)20-10-14-27(15-11-20)17-19-6-8-21(24-2)9-7-19/h6-9,16,20,24H,3-5,10-15,17H2,1-2H3.
What are the key properties of N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline?
N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline has a molecular weight of 379.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline is sourced from PubChem (CID 67678903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).