1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine

C16H19ClN2O — CID 23723071

IUPAC1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H19ClN2O/c1-13-6-7-14(20-13)12-18-8-10-19(11-9-18)16-5-3-2-4-15(16)17/h2-7H,8-12H2,1H3
InChIKeyDJHPMNSGYPTMLA-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine

1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 23723071) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID23723071
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H19ClN2O/c1-13-6-7-14(20-13)12-18-8-10-19(11-9-18)16-5-3-2-4-15(16)17/h2-7H,8-12H2,1H3
InChIKeyDJHPMNSGYPTMLA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-furamide
CID 979869
4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
5-bromo-N-[3-chloro-2-(4-methyl-1-piperazinyl)phenyl]-2-furamide
CID 42537838
Piperazine amide, 4c
CID 44236944
1-(4-Chlorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 754268
1-(4-Chlorophenyl)-4-(2-furylmethyl)piperazine
CID 764185
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 952829
4-(3-chlorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 972391
1-[(5-Bromo-2-furyl)methyl]-4-(4-chlorophenyl)piperazine
CID 1067888
1-(2-Chlorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 1377199
N-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-2-furamide
CID 2995824
1-(2-Ethoxyphenyl)-4-(2-furylmethyl)piperazine
CID 591367

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 23723071) is 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is DJHPMNSGYPTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-13-6-7-14(20-13)12-18-8-10-19(11-9-18)16-5-3-2-4-15(16)17/h2-7H,8-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 290.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 23723071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).