1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine

C13H21ClN2O — CID 171282491

IUPAC1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@@H](c1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C13H21ClN2O/c1-13(2,3)12(10-4-5-11(14)17-10)16-8-6-15-7-9-16/h4-5,12,15H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyYPXWUHXQFUJQJV-GFCCVEGCSA-N
MW256.78 g/mol
LogP2.93
Rot. Bonds2

About 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine

1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine (PubChem CID 171282491) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine
PubChem CID171282491
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@@H](c1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C13H21ClN2O/c1-13(2,3)12(10-4-5-11(14)17-10)16-8-6-15-7-9-16/h4-5,12,15H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyYPXWUHXQFUJQJV-GFCCVEGCSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282467
1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
CID 171288417
1-[(1R)-2,2-dimethyl-1-(2,3,6-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171294626
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171171613
1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171281692
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
(3S)-3-(5-chlorofuran-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306353
1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171282481
1-[(1R)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropyl]piperazine
CID 171296041
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274073

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine (CID 171282491) is 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine is CC(C)(C)[C@@H](c1ccc(Cl)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine?
The InChIKey is YPXWUHXQFUJQJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-13(2,3)12(10-4-5-11(14)17-10)16-8-6-15-7-9-16/h4-5,12,15H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine?
1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine has a molecular weight of 256.78 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 171282491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).