[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol

C14H24N2O2 — CID 171304772

IUPAC[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
SMILESCCC(C)[C@H](c1ccc(CO)o1)N1CCNCC1
InChIInChI=1S/C14H24N2O2/c1-3-11(2)14(16-8-6-15-7-9-16)13-5-4-12(10-17)18-13/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11?,14-/m1/s1
InChIKeyKZRUCEYFACSWEJ-SBXXRYSUSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds5

About [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol

[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol (PubChem CID 171304772) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
PubChem CID171304772
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
SMILESCCC(C)[C@H](c1ccc(CO)o1)N1CCNCC1
InChIInChI=1S/C14H24N2O2/c1-3-11(2)14(16-8-6-15-7-9-16)13-5-4-12(10-17)18-13/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11?,14-/m1/s1
InChIKeyKZRUCEYFACSWEJ-SBXXRYSUSA-N
XLogP1.76
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(1R)-1-piperazin-1-ylethyl]furan-2-yl]methanol
CID 131424921
1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282505
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
CID 171304796
[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol
CID 171281292
1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171295119
3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol (CID 171304772) is [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol is CCC(C)[C@H](c1ccc(CO)o1)N1CCNCC1.
What is the InChIKey of [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol?
The InChIKey is KZRUCEYFACSWEJ-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-11(2)14(16-8-6-15-7-9-16)13-5-4-12(10-17)18-13/h4-5,11,14-15,17H,3,6-10H2,1-2H3/t11?,14-/m1/s1.
What are the key properties of [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol?
[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol is sourced from PubChem (CID 171304772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).