4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine

C17H22N4 — CID 56902535

IUPAC4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCCC(CCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c18-17-19-11-10-16(20-17)21-12-4-7-15(13-21)9-8-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H2,18,19,20)
InChIKeyLBTBVAZVSLCXCP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds4

About 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine

4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 56902535) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID56902535
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCCC(CCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c18-17-19-11-10-16(20-17)21-12-4-7-15(13-21)9-8-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H2,18,19,20)
InChIKeyLBTBVAZVSLCXCP-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine (CID 56902535) is 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CCCC(CCc3ccccc3)C2)n1.
What is the InChIKey of 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is LBTBVAZVSLCXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-17-19-11-10-16(20-17)21-12-4-7-15(13-21)9-8-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H2,18,19,20).
What are the key properties of 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine?
4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 56902535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).