(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride

C7H18Cl2N2O — CID 175885575

IUPAC(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride
SMILESC[C@H](O)CC1CNCCN1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-6(10)4-7-5-8-2-3-9-7;;/h6-10H,2-5H2,1H3;2*1H/t6-,7?;;/m0../s1
InChIKeyRSSCLHXMZWBDOI-VNGAUYPHSA-N
MW217.14 g/mol
LogP0.16
Rot. Bonds2

About (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride

(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride (PubChem CID 175885575) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride
PubChem CID175885575
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride
SMILESC[C@H](O)CC1CNCCN1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-6(10)4-7-5-8-2-3-9-7;;/h6-10H,2-5H2,1H3;2*1H/t6-,7?;;/m0../s1
InChIKeyRSSCLHXMZWBDOI-VNGAUYPHSA-N
XLogP0.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride?
The IUPAC name of (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride (CID 175885575) is (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride.
What is the SMILES notation for (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride?
The canonical SMILES for (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride is C[C@H](O)CC1CNCCN1.Cl.Cl.
What is the InChIKey of (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride?
The InChIKey is RSSCLHXMZWBDOI-VNGAUYPHSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-6(10)4-7-5-8-2-3-9-7;;/h6-10H,2-5H2,1H3;2*1H/t6-,7?;;/m0../s1.
What are the key properties of (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride?
(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 175885575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).