(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol

C12H20N4O2 — CID 72880563

IUPAC(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol
SMILESCN(C)c1cncc(N2CC[C@](C)(O)[C@@H](O)C2)n1
InChIInChI=1S/C12H20N4O2/c1-12(18)4-5-16(8-9(12)17)11-7-13-6-10(14-11)15(2)3/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-,12-/m0/s1
InChIKeyXCCUXIDZHMFHPE-CABZTGNLSA-N
MW252.32 g/mol
LogP-0.14
Rot. Bonds2

About (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol

(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol (PubChem CID 72880563) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol
PubChem CID72880563
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol
SMILESCN(C)c1cncc(N2CC[C@](C)(O)[C@@H](O)C2)n1
InChIInChI=1S/C12H20N4O2/c1-12(18)4-5-16(8-9(12)17)11-7-13-6-10(14-11)15(2)3/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-,12-/m0/s1
InChIKeyXCCUXIDZHMFHPE-CABZTGNLSA-N
XLogP-0.14
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol (CID 72880563) is (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol is CN(C)c1cncc(N2CC[C@](C)(O)[C@@H](O)C2)n1.
What is the InChIKey of (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol?
The InChIKey is XCCUXIDZHMFHPE-CABZTGNLSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(18)4-5-16(8-9(12)17)11-7-13-6-10(14-11)15(2)3/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol?
(3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol has a molecular weight of 252.32 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[6-(dimethylamino)pyrazin-2-yl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 72880563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).