1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride

C14H23Cl2FN2 — CID 171277140

IUPAC1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2.2ClH/c1-3-14(17-8-6-16-7-9-17)12-5-4-11(2)13(15)10-12;;/h4-5,10,14,16H,3,6-9H2,1-2H3;2*1H/t14-;;/m0../s1
InChIKeyWNRRCMXKDJGAJH-UTLKBRERSA-N
MW309.26 g/mol
LogP3.33
Rot. Bonds3

About 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171277140) has the molecular formula C14H23Cl2FN2 and a molecular weight of 309.26 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
PubChem CID171277140
Molecular FormulaC14H23Cl2FN2
Molecular Weight309.26 g/mol
Exact Mass308.12
IUPAC Name1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2.2ClH/c1-3-14(17-8-6-16-7-9-17)12-5-4-11(2)13(15)10-12;;/h4-5,10,14,16H,3,6-9H2,1-2H3;2*1H/t14-;;/m0../s1
InChIKeyWNRRCMXKDJGAJH-UTLKBRERSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171672
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride (CID 171277140) is 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is WNRRCMXKDJGAJH-UTLKBRERSA-N. The full InChI is InChI=1S/C14H21FN2.2ClH/c1-3-14(17-8-6-16-7-9-17)12-5-4-11(2)13(15)10-12;;/h4-5,10,14,16H,3,6-9H2,1-2H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 309.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).