[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine

C17H22N4 — CID 66456001

IUPAC[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cncc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c18-11-16-12-19-13-17(20-16)21-8-6-15(7-9-21)10-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11,18H2
InChIKeyXLAWYJTXBPAGDO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.39
Rot. Bonds4

About [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine

[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine (PubChem CID 66456001) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
PubChem CID66456001
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cncc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c18-11-16-12-19-13-17(20-16)21-8-6-15(7-9-21)10-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11,18H2
InChIKeyXLAWYJTXBPAGDO-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447

Frequently Asked Questions

What is the IUPAC name of [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine (CID 66456001) is [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine is NCc1cncc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is XLAWYJTXBPAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-11-16-12-19-13-17(20-16)21-8-6-15(7-9-21)10-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11,18H2.
What are the key properties of [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine?
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66456001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).