[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol

C13H20N2O2 — CID 163511125

IUPAC[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CNC[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c16-9-12-6-14-7-13(10-17)15(12)8-11-4-2-1-3-5-11/h1-5,12-14,16-17H,6-10H2/t12-,13+
InChIKeySHEVOATZXFMXFE-BETUJISGSA-N
MW236.31 g/mol
LogP-0.19
Rot. Bonds4

About [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol

[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol (PubChem CID 163511125) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
PubChem CID163511125
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CNC[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c16-9-12-6-14-7-13(10-17)15(12)8-11-4-2-1-3-5-11/h1-5,12-14,16-17H,6-10H2/t12-,13+
InChIKeySHEVOATZXFMXFE-BETUJISGSA-N
XLogP-0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668948
1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668949
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(2R,6S)-1-benzyl-2-(2-hydroxyethyl)-1,4-diazepan-6-ol
CID 163246293
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
9-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 68843951
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
(1S,5S)-3-benzyl-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane
CID 98781096
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol?
The IUPAC name of [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol (CID 163511125) is [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol is OC[C@@H]1CNC[C@H](CO)N1Cc1ccccc1.
What is the InChIKey of [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol?
The InChIKey is SHEVOATZXFMXFE-BETUJISGSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-12-6-14-7-13(10-17)15(12)8-11-4-2-1-3-5-11/h1-5,12-14,16-17H,6-10H2/t12-,13+.
What are the key properties of [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol?
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 163511125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).