1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine

C15H17ClN2O — CID 764185

IUPAC1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C15H17ClN2O/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyDGUPHETWSGZCSA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine

1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine (PubChem CID 764185) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine
PubChem CID764185
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C15H17ClN2O/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyDGUPHETWSGZCSA-UHFFFAOYSA-N
XLogP3.26
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)furan-2-carboxamide
CID 790315
N-(4-chlorophenyl)-N'-(2-furylmethyl)thiourea
CID 841941
4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
1-(4-Chlorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 754268
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-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
N-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-2-furamide
CID 2995824
1-(2-Chlorophenyl)-4-[(5-methyl-2-furyl)methyl]piperazine
CID 23723071
1-(2-Ethoxyphenyl)-4-(2-furylmethyl)piperazine
CID 591367

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine (CID 764185) is 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine is Clc1ccc(N2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine?
The InChIKey is DGUPHETWSGZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine?
1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine has a molecular weight of 276.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).