(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol

C15H19ClN2O2 — CID 114726954

IUPAC(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(C(O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C15H19ClN2O2/c1-17-6-7-18(2)12(9-17)14(19)13-8-10-4-3-5-11(16)15(10)20-13/h3-5,8,12,14,19H,6-7,9H2,1-2H3
InChIKeyOALSWGODYJDDPP-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.37
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol (PubChem CID 114726954) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
PubChem CID114726954
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(C(O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C15H19ClN2O2/c1-17-6-7-18(2)12(9-17)14(19)13-8-10-4-3-5-11(16)15(10)20-13/h3-5,8,12,14,19H,6-7,9H2,1-2H3
InChIKeyOALSWGODYJDDPP-UHFFFAOYSA-N
XLogP2.37
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 114727163
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114725938
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837587
(7-chloro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methanol
CID 114727149
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
CID 114726928
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanol
CID 114726911
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol (CID 114726954) is (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol is CN1CCN(C)C(C(O)c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The InChIKey is OALSWGODYJDDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-17-6-7-18(2)12(9-17)14(19)13-8-10-4-3-5-11(16)15(10)20-13/h3-5,8,12,14,19H,6-7,9H2,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol has a molecular weight of 294.78 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 114726954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).