3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol

C9H20N2O2 — CID 82850214

IUPAC3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
SMILESCC1CN(CC(O)CO)C(C)CN1
InChIInChI=1S/C9H20N2O2/c1-7-4-11(5-9(13)6-12)8(2)3-10-7/h7-10,12-13H,3-6H2,1-2H3
InChIKeyDSCNOZJJNMKWJN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.98
Rot. Bonds3

About 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol

3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol (PubChem CID 82850214) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
PubChem CID82850214
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
SMILESCC1CN(CC(O)CO)C(C)CN1
InChIInChI=1S/C9H20N2O2/c1-7-4-11(5-9(13)6-12)8(2)3-10-7/h7-10,12-13H,3-6H2,1-2H3
InChIKeyDSCNOZJJNMKWJN-UHFFFAOYSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropoxy-3-(1-piperazinyl)-2-propanol
CID 11957136
3-(Piperazin-1-yl)propane-1,2-diol
CID 111002
(4-Methylpiperazin-2-yl)methanol
CID 12793177
1-(3-Methylpiperazin-1-yl)propan-2-ol
CID 14324892
1-(2-Ethylpiperazin-1-yl)propan-2-ol
CID 17954154
[(2S)-4-methylpiperazin-2-yl]methanol
CID 45087437
2-[(2R,6S)-2,6-dimethylpiperazin-1-yl]ethan-1-ol
CID 93500290
3-[2-[(2-Hydroxy-1-methyl-propyl)amino]ethylamino]butan-2-ol
CID 469988
3-[2-(1-Hydroxypropan-2-ylamino)ethylamino]butan-2-ol
CID 44281168
1-Isopropoxy-3-piperazin-1-yl-propan-2-ol
CID 3163524
2-Propanol, 1-[[2-(1-piperazinyl)ethyl]amino]-
CID 108259
1-Piperazineethanol, 4-(2-((2-hydroxypropyl)amino)ethyl)-alpha-methyl-
CID 109298

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol (CID 82850214) is 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol is CC1CN(CC(O)CO)C(C)CN1.
What is the InChIKey of 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is DSCNOZJJNMKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7-4-11(5-9(13)6-12)8(2)3-10-7/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol?
3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 82850214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).