(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol

C8H18N2O2 — CID 163688577

IUPAC(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
SMILESC[C@@H](CO)C(O)N1CCNCC1
InChIInChI=1S/C8H18N2O2/c1-7(6-11)8(12)10-4-2-9-3-5-10/h7-9,11-12H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyJRAKDJQDSXYGFJ-JAMMHHFISA-N
MW174.24 g/mol
LogP-1.16
Rot. Bonds3

About (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol

(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol (PubChem CID 163688577) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
PubChem CID163688577
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
SMILESC[C@@H](CO)C(O)N1CCNCC1
InChIInChI=1S/C8H18N2O2/c1-7(6-11)8(12)10-4-2-9-3-5-10/h7-9,11-12H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyJRAKDJQDSXYGFJ-JAMMHHFISA-N
XLogP-1.16
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperazin-1-ylbutane-1,2-diol
CID 163627415
3-methyl-2-piperazin-1-ylbutan-1-ol
CID 61317705
1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol
CID 70614432
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
CID 61324971
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
(2S)-3-[4-[(3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]butane-1,2,4-triol;tetrahydrochloride
CID 175675084
(2R,3S)-3-(1,4,7,10-tetrazacyclododec-1-yl)butane-1,2,4-triol;tetrahydrochloride
CID 169490742
4-methyl-3-piperazin-1-ylpentan-1-ol
CID 83817608
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
morpholine;1-piperazin-1-ylethanol
CID 67676153
methoxy(piperazin-1-yl)methanol
CID 154545795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol?
The IUPAC name of (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol (CID 163688577) is (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol.
What is the SMILES notation for (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol?
The canonical SMILES for (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol is C[C@@H](CO)C(O)N1CCNCC1.
What is the InChIKey of (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol?
The InChIKey is JRAKDJQDSXYGFJ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(6-11)8(12)10-4-2-9-3-5-10/h7-9,11-12H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol?
(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol has a molecular weight of 174.24 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol is sourced from PubChem (CID 163688577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).