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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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).