1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride

C15H23Cl2FN2O — CID 171280765

IUPAC1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc(F)c1[C@H](C1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H21FN2O.2ClH/c1-19-13-4-2-3-12(16)14(13)15(11-5-6-11)18-9-7-17-8-10-18;;/h2-4,11,15,17H,5-10H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyKQZXPZNZPUFECZ-CKUXDGONSA-N
MW337.27 g/mol
LogP3.03
Rot. Bonds4

About 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171280765) has the molecular formula C15H23Cl2FN2O and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171280765
Molecular FormulaC15H23Cl2FN2O
Molecular Weight337.27 g/mol
Exact Mass336.12
IUPAC Name1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc(F)c1[C@H](C1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H21FN2O.2ClH/c1-19-13-4-2-3-12(16)14(13)15(11-5-6-11)18-9-7-17-8-10-18;;/h2-4,11,15,17H,5-10H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyKQZXPZNZPUFECZ-CKUXDGONSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(2-fluoro-6-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280770
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166798
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine
CID 171172236
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
CID 171178059
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171293403

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride (CID 171280765) is 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride is COc1cccc(F)c1[C@H](C1CC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is KQZXPZNZPUFECZ-CKUXDGONSA-N. The full InChI is InChI=1S/C15H21FN2O.2ClH/c1-19-13-4-2-3-12(16)14(13)15(11-5-6-11)18-9-7-17-8-10-18;;/h2-4,11,15,17H,5-10H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 337.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).