1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine

C15H20ClFN2O — CID 97245082

IUPAC1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c16-14-9-13(17)1-2-15(14)19-6-4-18(5-7-19)10-12-3-8-20-11-12/h1-2,9,12H,3-8,10-11H2/t12-/m0/s1
InChIKeyQZLQTNFHIPPBCV-LBPRGKRZSA-N
MW298.79 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine

1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine (PubChem CID 97245082) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
PubChem CID97245082
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c16-14-9-13(17)1-2-15(14)19-6-4-18(5-7-19)10-12-3-8-20-11-12/h1-2,9,12H,3-8,10-11H2/t12-/m0/s1
InChIKeyQZLQTNFHIPPBCV-LBPRGKRZSA-N
XLogP2.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]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

{(3R*,4R*)-1-[1-(2-chlorophenyl)piperidin-4-yl]-4-[(dimethylamino)methyl]pyrrolidin-3-yl}methanol
CID 70723687
1-(3-Chlorophenyl)-4-(3-isobutoxypropyl)piperazine hydrochloride
CID 129318549
1-(2-Chloro-3-fluorophenyl)-4-(2-methoxyethyl)piperazine
CID 67532930
1-(2-Chloro-3-fluorophenyl)-4-prop-2-enylpiperazine
CID 67533750
1-Tert-butyl-4-(2-chloro-5-fluorophenyl)piperazine
CID 68756452
1-(2-Chloro-4-fluorophenyl)-4-ethylpiperazine
CID 70451168
3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl isobutyl ether
CID 76971272
6-(2-Chloro-4-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 118903899
6-(2-Chloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 118903940
6-(2-Chloro-4-fluorophenyl)-4-fluoro-1-oxa-6-azaspiro[2.5]octane
CID 118903997
(3R,4S)-6-(2-chloro-4-fluorophenyl)-4-fluoro-1-oxa-6-azaspiro[2.5]octane
CID 118904000
(3R,4R)-6-(2-chloro-4-fluorophenyl)-4-fluoro-1-oxa-6-azaspiro[2.5]octane
CID 118904488

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine (CID 97245082) is 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine is Fc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The InChIKey is QZLQTNFHIPPBCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-14-9-13(17)1-2-15(14)19-6-4-18(5-7-19)10-12-3-8-20-11-12/h1-2,9,12H,3-8,10-11H2/t12-/m0/s1.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine has a molecular weight of 298.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 97245082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).