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

C15H20ClFN2O — CID 97245083

IUPAC1-(2-chloro-4-fluorophenyl)-4-[[(3R)-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-/m1/s1
InChIKeyQZLQTNFHIPPBCV-GFCCVEGCSA-N
MW298.79 g/mol
LogP2.64
Rot. Bonds3

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

1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine (PubChem CID 97245083) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
PubChem CID97245083
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-[[(3R)-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-/m1/s1
InChIKeyQZLQTNFHIPPBCV-GFCCVEGCSA-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

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Related Compounds

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1-(2-Chloro-3-fluorophenyl)-4-(2-methoxyethyl)piperazine
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CID 70451168
3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl isobutyl ether
CID 76971272
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6-(2-Chloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
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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-[[(3R)-oxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine (CID 97245083) is 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-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-[[(3R)-oxolan-3-yl]methyl]piperazine?
The InChIKey is QZLQTNFHIPPBCV-GFCCVEGCSA-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-/m1/s1.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
1-(2-chloro-4-fluorophenyl)-4-[[(3R)-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-[[(3R)-oxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 97245083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).