1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine

C13H22N2O — CID 171304796

IUPAC1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccoc1)N1CCNCC1
InChIInChI=1S/C13H22N2O/c1-3-11(2)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,3,5-8H2,1-2H3/t11?,13-/m1/s1
InChIKeyYZBOBWCDDONEAC-GLGOKHISSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds4

About 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine

1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine (PubChem CID 171304796) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
PubChem CID171304796
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccoc1)N1CCNCC1
InChIInChI=1S/C13H22N2O/c1-3-11(2)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,3,5-8H2,1-2H3/t11?,13-/m1/s1
InChIKeyYZBOBWCDDONEAC-GLGOKHISSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1S)-1-(6-bromo-3-pyridinyl)-2-methylbutyl]piperazine
CID 171305224
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304539
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
CID 171304422
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine (CID 171304796) is 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1ccoc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine?
The InChIKey is YZBOBWCDDONEAC-GLGOKHISSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11(2)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,3,5-8H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine?
1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).