1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

C15H22Cl3FN2 — CID 171274071

IUPAC1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cl)c1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2.2ClH/c16-12-2-1-3-13(17)15(12)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1
InChIKeyCBNNIGWHVMJLMG-UTLKBRERSA-N
MW355.71 g/mol
LogP4.07
Rot. Bonds4

About 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (PubChem CID 171274071) has the molecular formula C15H22Cl3FN2 and a molecular weight of 355.71 g/mol. Its IUPAC name is 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
PubChem CID171274071
Molecular FormulaC15H22Cl3FN2
Molecular Weight355.71 g/mol
Exact Mass354.08
IUPAC Name1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Cl)c1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2.2ClH/c16-12-2-1-3-13(17)15(12)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1
InChIKeyCBNNIGWHVMJLMG-UTLKBRERSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1S)-2-cyclopropyl-1-(3,6-dichloro-2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171283788
1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
CID 171173184
1-[(1S)-2-cyclopropyl-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165457
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171280216
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1S)-1-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropyl]piperazine
CID 171163175
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1S)-1-(2-chloro-6-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163168
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (CID 171274071) is 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc(Cl)c1[C@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The InChIKey is CBNNIGWHVMJLMG-UTLKBRERSA-N. The full InChI is InChI=1S/C15H20ClFN2.2ClH/c16-12-2-1-3-13(17)15(12)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride has a molecular weight of 355.71 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).