1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine

C15H23FN2O — CID 171182097

IUPAC1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine
SMILESCOc1c(C)cc([C@@H](CF)N2CCNCC2)cc1C
InChIInChI=1S/C15H23FN2O/c1-11-8-13(9-12(2)15(11)19-3)14(10-16)18-6-4-17-5-7-18/h8-9,14,17H,4-7,10H2,1-3H3/t14-/m1/s1
InChIKeyJEGAOMUSQSPCLR-CQSZACIVSA-N
MW266.36 g/mol
LogP2.23
Rot. Bonds4

About 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine

1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine (PubChem CID 171182097) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine
PubChem CID171182097
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine
SMILESCOc1c(C)cc([C@@H](CF)N2CCNCC2)cc1C
InChIInChI=1S/C15H23FN2O/c1-11-8-13(9-12(2)15(11)19-3)14(10-16)18-6-4-17-5-7-18/h8-9,14,17H,4-7,10H2,1-3H3/t14-/m1/s1
InChIKeyJEGAOMUSQSPCLR-CQSZACIVSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171182345
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181783
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1S)-1-(3,5-difluorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181888
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine (CID 171182097) is 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine is COc1c(C)cc([C@@H](CF)N2CCNCC2)cc1C.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The InChIKey is JEGAOMUSQSPCLR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-8-13(9-12(2)15(11)19-3)14(10-16)18-6-4-17-5-7-18/h8-9,14,17H,4-7,10H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 171182097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).