[(2S,3R)-3-methylpiperazin-2-yl]methanol

C6H14N2O — CID 125425294

IUPAC[(2S,3R)-3-methylpiperazin-2-yl]methanol
SMILESC[C@H]1NCCN[C@@H]1CO
InChIInChI=1S/C6H14N2O/c1-5-6(4-9)8-3-2-7-5/h5-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZYUWLAQFHBFTFY-PHDIDXHHSA-N
MW130.19 g/mol
LogP-1.07
Rot. Bonds1

About [(2S,3R)-3-methylpiperazin-2-yl]methanol

[(2S,3R)-3-methylpiperazin-2-yl]methanol (PubChem CID 125425294) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2S,3R)-3-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-methylpiperazin-2-yl]methanol
PubChem CID125425294
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name[(2S,3R)-3-methylpiperazin-2-yl]methanol
SMILESC[C@H]1NCCN[C@@H]1CO
InChIInChI=1S/C6H14N2O/c1-5-6(4-9)8-3-2-7-5/h5-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZYUWLAQFHBFTFY-PHDIDXHHSA-N
XLogP-1.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
CID 66599997
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
(3-methylpiperidin-2-yl)methanol
CID 19898861
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911
[(2S,3S)-2-methylmorpholin-3-yl]methanol
CID 53338734
2-(hydroxymethyl)-3-methylpiperidin-4-ol
CID 77387082
[(2R,3R)-2-methylmorpholin-3-yl]methanol
CID 53338732
(2-methylpiperidin-3-yl)methanol
CID 19019552
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
2-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 73200189

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-methylpiperazin-2-yl]methanol (CID 125425294) is [(2S,3R)-3-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-methylpiperazin-2-yl]methanol is C[C@H]1NCCN[C@@H]1CO.
What is the InChIKey of [(2S,3R)-3-methylpiperazin-2-yl]methanol?
The InChIKey is ZYUWLAQFHBFTFY-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5-6(4-9)8-3-2-7-5/h5-9H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(2S,3R)-3-methylpiperazin-2-yl]methanol?
[(2S,3R)-3-methylpiperazin-2-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 125425294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).