1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride

C13H24Cl2N2O — CID 171281692

IUPAC1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccoc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-13(2,3)12(11-4-9-16-10-11)15-7-5-14-6-8-15;;/h4,9-10,12,14H,5-8H2,1-3H3;2*1H/t12-;;/m1../s1
InChIKeyCZHZXDYPCAAWOZ-CURYUGHLSA-N
MW295.25 g/mol
LogP3.12
Rot. Bonds2

About 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171281692) has the molecular formula C13H24Cl2N2O and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171281692
Molecular FormulaC13H24Cl2N2O
Molecular Weight295.25 g/mol
Exact Mass294.13
IUPAC Name1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccoc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-13(2,3)12(11-4-9-16-10-11)15-7-5-14-6-8-15;;/h4,9-10,12,14H,5-8H2,1-3H3;2*1H/t12-;;/m1../s1
InChIKeyCZHZXDYPCAAWOZ-CURYUGHLSA-N
XLogP3.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
CID 171288417
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171272854
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171278260
1-[(1R)-1-(4-ethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171287107
1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171288986

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171281692) is 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@@H](c1ccoc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is CZHZXDYPCAAWOZ-CURYUGHLSA-N. The full InChI is InChI=1S/C13H22N2O.2ClH/c1-13(2,3)12(11-4-9-16-10-11)15-7-5-14-6-8-15;;/h4,9-10,12,14H,5-8H2,1-3H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 295.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).