1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

C15H21BrClFN2 — CID 171163073

IUPAC1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Br)ccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20BrFN2.ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1
InChIKeyAAWCUDKCVMTWDS-RSAXXLAASA-N
MW363.70 g/mol
LogP3.76
Rot. Bonds4

About 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (PubChem CID 171163073) has the molecular formula C15H21BrClFN2 and a molecular weight of 363.70 g/mol. Its IUPAC name is 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
PubChem CID171163073
Molecular FormulaC15H21BrClFN2
Molecular Weight363.70 g/mol
Exact Mass362.06
IUPAC Name1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Br)ccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20BrFN2.ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1
InChIKeyAAWCUDKCVMTWDS-RSAXXLAASA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171163632
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
CID 171162953
1-[(1S)-1-(4-bromo-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171163112
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine
CID 171273492
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171164566
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (CID 171163073) is 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is Cl.Fc1cc(Br)ccc1[C@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The InChIKey is AAWCUDKCVMTWDS-RSAXXLAASA-N. The full InChI is InChI=1S/C15H20BrFN2.ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride has a molecular weight of 363.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is sourced from PubChem (CID 171163073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).