1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine

C15H17ClN2O — CID 173148061

IUPAC1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(Cl)ccc2-c2ccco2)CC1
InChIInChI=1S/C15H17ClN2O/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyGWXMQTANCCNIMD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.35
Rot. Bonds2

About 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine

1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine (PubChem CID 173148061) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
PubChem CID173148061
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(Cl)ccc2-c2ccco2)CC1
InChIInChI=1S/C15H17ClN2O/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyGWXMQTANCCNIMD-UHFFFAOYSA-N
XLogP3.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine (CID 173148061) is 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine is CN1CCN(c2cc(Cl)ccc2-c2ccco2)CC1.
What is the InChIKey of 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine?
The InChIKey is GWXMQTANCCNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine?
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine has a molecular weight of 276.77 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 173148061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).