(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

C12H16N2O3 — CID 107690427

IUPAC(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16N2O3/c1-8-7-13-5-6-14(8)12(17)11-9(15)3-2-4-10(11)16/h2-4,8,13,15-16H,5-7H2,1H3/t8-/m0/s1
InChIKeyZNRXLELDCKIUQH-QMMMGPOBSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds1

About (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 107690427) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID107690427
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16N2O3/c1-8-7-13-5-6-14(8)12(17)11-9(15)3-2-4-10(11)16/h2-4,8,13,15-16H,5-7H2,1H3/t8-/m0/s1
InChIKeyZNRXLELDCKIUQH-QMMMGPOBSA-N
XLogP0.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 107690427) is (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1c(O)cccc1O.
What is the InChIKey of (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is ZNRXLELDCKIUQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-13-5-6-14(8)12(17)11-9(15)3-2-4-10(11)16/h2-4,8,13,15-16H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 107690427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).