1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine

C16H22ClFN2O2 — CID 86795518

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESFc1ccc(CN2CCN(CCC3OCCO3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O2/c17-15-11-14(18)2-1-13(15)12-20-7-5-19(6-8-20)4-3-16-21-9-10-22-16/h1-2,11,16H,3-10,12H2
InChIKeyGAHJDVHQDMFDGI-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.36
Rot. Bonds5

About 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine

1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (PubChem CID 86795518) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
PubChem CID86795518
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESFc1ccc(CN2CCN(CCC3OCCO3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O2/c17-15-11-14(18)2-1-13(15)12-20-7-5-19(6-8-20)4-3-16-21-9-10-22-16/h1-2,11,16H,3-10,12H2
InChIKeyGAHJDVHQDMFDGI-UHFFFAOYSA-N
XLogP2.36
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine 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-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982448
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110913125
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 37385330
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
4-[(2-chloro-4-fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74241217
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (CID 86795518) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is Fc1ccc(CN2CCN(CCC3OCCO3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The InChIKey is GAHJDVHQDMFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c17-15-11-14(18)2-1-13(15)12-20-7-5-19(6-8-20)4-3-16-21-9-10-22-16/h1-2,11,16H,3-10,12H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine has a molecular weight of 328.81 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 86795518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).