2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine

C23H26N4 — CID 56717917

IUPAC2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(N2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1
InChIInChI=1S/C23H26N4/c24-14-11-21-17-22(26-18-25-21)27-15-12-23(13-16-27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18H,11-16,24H2
InChIKeyNOJHATFDNRVSPQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.56
Rot. Bonds5

About 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine

2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine (PubChem CID 56717917) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
PubChem CID56717917
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(N2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1
InChIInChI=1S/C23H26N4/c24-14-11-21-17-22(26-18-25-21)27-15-12-23(13-16-27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18H,11-16,24H2
InChIKeyNOJHATFDNRVSPQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
CID 165427300
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56874329
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 63079037
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
1-benzyl-8-[6-(methoxymethyl)pyrimidin-4-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419738
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179292

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine (CID 56717917) is 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine is NCCc1cc(N2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1.
What is the InChIKey of 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is NOJHATFDNRVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c24-14-11-21-17-22(26-18-25-21)27-15-12-23(13-16-27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18H,11-16,24H2.
What are the key properties of 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 358.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 56717917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).