1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

C21H24ClFN2O — CID 23147781

IUPAC1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFc1cc(Cl)cc(COCC2(N3CCNCC3)CCc3ccccc32)c1
InChIInChI=1S/C21H24ClFN2O/c22-18-11-16(12-19(23)13-18)14-26-15-21(25-9-7-24-8-10-25)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,24H,5-10,14-15H2
InChIKeyVZJCGIVSDKWQTR-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.74
Rot. Bonds5

About 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (PubChem CID 23147781) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
PubChem CID23147781
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFc1cc(Cl)cc(COCC2(N3CCNCC3)CCc3ccccc32)c1
InChIInChI=1S/C21H24ClFN2O/c22-18-11-16(12-19(23)13-18)14-26-15-21(25-9-7-24-8-10-25)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,24H,5-10,14-15H2
InChIKeyVZJCGIVSDKWQTR-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]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

1-[(1S)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338346
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-chlorophenyl)ethyl]piperazine
CID 44338359
1-[2-[(3-Chlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338557
1-[(1R)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338639
1-[2-[(3,5-Dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44358334
1-[1-[(3,5-Difluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 11949384
1-[1-[(3,5-Difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine
CID 11949387
1-[1-[(3-Bromo-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147670
1-[1-[[3-(Trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147688
1-[2-[1-(3,5-Difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147719
1-[2-[(3,5-Difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147722
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147739

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The IUPAC name of 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (CID 23147781) is 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.
What is the SMILES notation for 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The canonical SMILES for 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is Fc1cc(Cl)cc(COCC2(N3CCNCC3)CCc3ccccc32)c1.
What is the InChIKey of 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The InChIKey is VZJCGIVSDKWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c22-18-11-16(12-19(23)13-18)14-26-15-21(25-9-7-24-8-10-25)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,24H,5-10,14-15H2.
What are the key properties of 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine has a molecular weight of 374.89 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is sourced from PubChem (CID 23147781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).