6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine

C16H26N4O — CID 125008865

IUPAC6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN1CCCC[C@H]1c1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C16H26N4O/c1-20-7-3-2-4-15(20)14-11-17-12-16(19-14)18-10-13-5-8-21-9-6-13/h11-13,15H,2-10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUYEHIZZCPBIONY-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds4

About 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine

6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 125008865) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID125008865
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN1CCCC[C@H]1c1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C16H26N4O/c1-20-7-3-2-4-15(20)14-11-17-12-16(19-14)18-10-13-5-8-21-9-6-13/h11-13,15H,2-10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUYEHIZZCPBIONY-HNNXBMFYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 125008865) is 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine is CN1CCCC[C@H]1c1cncc(NCC2CCOCC2)n1.
What is the InChIKey of 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is UYEHIZZCPBIONY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20-7-3-2-4-15(20)14-11-17-12-16(19-14)18-10-13-5-8-21-9-6-13/h11-13,15H,2-10H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine?
6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-methylpiperidin-2-yl]-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 125008865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).