(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride

C8H20Cl2N2O — CID 178200129

IUPAC(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC[C@@H](O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-2-8(11)7-10-5-3-9-4-6-10;;/h8-9,11H,2-7H2,1H3;2*1H/t8-;;/m1../s1
InChIKeyWCAQWVVNCXRGSG-YCBDHFTFSA-N
MW231.17 g/mol
LogP0.51
Rot. Bonds3

About (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride

(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride (PubChem CID 178200129) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
PubChem CID178200129
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC[C@@H](O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-2-8(11)7-10-5-3-9-4-6-10;;/h8-9,11H,2-7H2,1H3;2*1H/t8-;;/m1../s1
InChIKeyWCAQWVVNCXRGSG-YCBDHFTFSA-N
XLogP0.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperazine;1-piperazin-1-ylpropan-2-ol
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1-butan-2-ylsulfanyl-3-piperazin-1-ylpropan-2-ol
CID 65449840
1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
1-(azonan-1-yl)butan-2-ol
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1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-[(3R)-3-methylpiperazin-1-yl]butan-2-ol
CID 104975632
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450385
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
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CID 95067069

Frequently Asked Questions

What is the IUPAC name of (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride?
The IUPAC name of (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride (CID 178200129) is (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride.
What is the SMILES notation for (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride?
The canonical SMILES for (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride is CC[C@@H](O)CN1CCNCC1.Cl.Cl.
What is the InChIKey of (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride?
The InChIKey is WCAQWVVNCXRGSG-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-2-8(11)7-10-5-3-9-4-6-10;;/h8-9,11H,2-7H2,1H3;2*1H/t8-;;/m1../s1.
What are the key properties of (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride?
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 178200129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).