4-piperazin-1-ylbutan-2-ol;dihydrochloride

C8H20Cl2N2O — CID 141116403

IUPAC4-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC(O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(11)2-5-10-6-3-9-4-7-10;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKeyBGYZZUCDTGHVNY-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.51
Rot. Bonds3

About 4-piperazin-1-ylbutan-2-ol;dihydrochloride

4-piperazin-1-ylbutan-2-ol;dihydrochloride (PubChem CID 141116403) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-2-ol;dihydrochloride
PubChem CID141116403
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name4-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC(O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(11)2-5-10-6-3-9-4-7-10;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKeyBGYZZUCDTGHVNY-UHFFFAOYSA-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

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4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
ethanol;1-(3-methoxybutyl)-1,4,7-triazonane
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2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
1-(8-methylnonyl)piperazine
CID 170614920
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
methanamine;2-piperazin-1-ylethanol
CID 142253011
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
6-piperazin-1-ylhexane-1,2-diol
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N-methyl-1-piperazin-1-ylpentan-3-amine
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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The IUPAC name of 4-piperazin-1-ylbutan-2-ol;dihydrochloride (CID 141116403) is 4-piperazin-1-ylbutan-2-ol;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The canonical SMILES for 4-piperazin-1-ylbutan-2-ol;dihydrochloride is CC(O)CCN1CCNCC1.Cl.Cl.
What is the InChIKey of 4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The InChIKey is BGYZZUCDTGHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-8(11)2-5-10-6-3-9-4-7-10;;/h8-9,11H,2-7H2,1H3;2*1H.
What are the key properties of 4-piperazin-1-ylbutan-2-ol;dihydrochloride?
4-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 4-piperazin-1-ylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 141116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).