1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride

C16H24ClFN2O — CID 171163509

IUPAC1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1c(F)cccc1[C@H](CC1CC1)N1CCNCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-20-16-13(3-2-4-14(16)17)15(11-12-5-6-12)19-9-7-18-8-10-19;/h2-4,12,15,18H,5-11H2,1H3;1H/t15-;/m0./s1
InChIKeyYQWIJQRGEFXVMA-RSAXXLAASA-N
MW314.83 g/mol
LogP3.00
Rot. Bonds5

About 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171163509) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171163509
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1c(F)cccc1[C@H](CC1CC1)N1CCNCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-20-16-13(3-2-4-14(16)17)15(11-12-5-6-12)19-9-7-18-8-10-19;/h2-4,12,15,18H,5-11H2,1H3;1H/t15-;/m0./s1
InChIKeyYQWIJQRGEFXVMA-RSAXXLAASA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride (CID 171163509) is 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride is COc1c(F)cccc1[C@H](CC1CC1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is YQWIJQRGEFXVMA-RSAXXLAASA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-20-16-13(3-2-4-14(16)17)15(11-12-5-6-12)19-9-7-18-8-10-19;/h2-4,12,15,18H,5-11H2,1H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171163509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).