1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine

C12H19ClN2O — CID 82215234

IUPAC1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CC(Cl)c2ccco2)CC1
InChIInChI=1S/C12H19ClN2O/c1-2-14-5-7-15(8-6-14)10-11(13)12-4-3-9-16-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDGBBPKVGOGFZCV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine

1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine (PubChem CID 82215234) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine
PubChem CID82215234
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CC(Cl)c2ccco2)CC1
InChIInChI=1S/C12H19ClN2O/c1-2-14-5-7-15(8-6-14)10-11(13)12-4-3-9-16-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDGBBPKVGOGFZCV-UHFFFAOYSA-N
XLogP2.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
2-(1-chloro-2-phenylethyl)furan
CID 63016846
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62554630
1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 43181238
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine (CID 82215234) is 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine is CCN1CCN(CC(Cl)c2ccco2)CC1.
What is the InChIKey of 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine?
The InChIKey is DGBBPKVGOGFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-2-14-5-7-15(8-6-14)10-11(13)12-4-3-9-16-12/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine?
1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine has a molecular weight of 242.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(furan-2-yl)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 82215234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).