2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine

C23H26N4 — CID 112900795

IUPAC2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H26N4/c1-26(21-10-6-3-7-11-21)22-12-15-24-23(25-22)27-16-13-20(14-17-27)18-19-8-4-2-5-9-19/h2-12,15,20H,13-14,16-18H2,1H3
InChIKeyYZTUEYKSDDFDND-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine (PubChem CID 112900795) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
PubChem CID112900795
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H26N4/c1-26(21-10-6-3-7-11-21)22-12-15-24-23(25-22)27-16-13-20(14-17-27)18-19-8-4-2-5-9-19/h2-12,15,20H,13-14,16-18H2,1H3
InChIKeyYZTUEYKSDDFDND-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
1-[4-[4-(N-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889034
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
CID 112900822
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112900775
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine (CID 112900795) is 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine is CN(c1ccccc1)c1ccnc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is YZTUEYKSDDFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-26(21-10-6-3-7-11-21)22-12-15-24-23(25-22)27-16-13-20(14-17-27)18-19-8-4-2-5-9-19/h2-12,15,20H,13-14,16-18H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112900795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).