1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine

C16H19ClN2O — CID 782346

IUPAC1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C16H19ClN2O/c1-18-8-10-19(11-9-18)12-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3
InChIKeyCQVLIEXZVXLFLG-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.35
Rot. Bonds3

About 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine

1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine (PubChem CID 782346) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine
PubChem CID782346
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C16H19ClN2O/c1-18-8-10-19(11-9-18)12-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3
InChIKeyCQVLIEXZVXLFLG-UHFFFAOYSA-N
XLogP3.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-Chlorophenyl)furan-2-carbothioyl]piperidine
CID 741694
(5-(2,4-Dichlorophenyl)furan-2-yl)(pyrrolidin-1-yl)methanethione
CID 936298
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
[5-(3,4-Dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
CID 947873
[5-(2,5-Dichlorophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanethione
CID 3588620
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
[5-(2-Chlorophenyl)-2-furyl]-(3-methylpiperidino)methanone
CID 18105311
3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
CID 647949
3-(4-(5-(4-Chlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
CID 650965
1-(4-Chlorobenzoyl)-4-(2-furoyl)piperazine
CID 792960

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine (CID 782346) is 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine?
The InChIKey is CQVLIEXZVXLFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-18-8-10-19(11-9-18)12-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3.
What are the key properties of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine?
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine has a molecular weight of 290.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 782346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).