1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C14H20BrClF2N2 — CID 171179209

IUPAC1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC(F)F)N2CCNCC2)cc1Br.Cl
InChIInChI=1S/C14H19BrF2N2.ClH/c1-10-2-3-11(8-12(10)15)13(9-14(16)17)19-6-4-18-5-7-19;/h2-3,8,13-14,18H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyRNUBQVWPOUWZEW-ZOWNYOTGSA-N
MW369.68 g/mol
LogP3.78
Rot. Bonds4

About 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171179209) has the molecular formula C14H20BrClF2N2 and a molecular weight of 369.68 g/mol. Its IUPAC name is 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171179209
Molecular FormulaC14H20BrClF2N2
Molecular Weight369.68 g/mol
Exact Mass368.05
IUPAC Name1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC(F)F)N2CCNCC2)cc1Br.Cl
InChIInChI=1S/C14H19BrF2N2.ClH/c1-10-2-3-11(8-12(10)15)13(9-14(16)17)19-6-4-18-5-7-19;/h2-3,8,13-14,18H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyRNUBQVWPOUWZEW-ZOWNYOTGSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-bromo-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182457
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-3,3-difluoro-1-(4-fluoro-3-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171179855
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597
1-[(1R)-1-(3-bromo-4-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179212
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171178985

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171179209) is 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is Cc1ccc([C@H](CC(F)F)N2CCNCC2)cc1Br.Cl.
What is the InChIKey of 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is RNUBQVWPOUWZEW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H19BrF2N2.ClH/c1-10-2-3-11(8-12(10)15)13(9-14(16)17)19-6-4-18-5-7-19;/h2-3,8,13-14,18H,4-7,9H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 369.68 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).