1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine

C15H20ClFN2 — CID 171169090

IUPAC1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2/c16-12-3-4-14(17)13(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/t15-/m1/s1
InChIKeyLLNDIIKUNRSQOX-OAHLLOKOSA-N
MW282.79 g/mol
LogP3.23
Rot. Bonds4

About 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine

1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine (PubChem CID 171169090) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
PubChem CID171169090
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2/c16-12-3-4-14(17)13(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/t15-/m1/s1
InChIKeyLLNDIIKUNRSQOX-OAHLLOKOSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline
CID 171295504
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
2-chloro-6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol;dihydrochloride
CID 171297826
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine (CID 171169090) is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine is Fc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine?
The InChIKey is LLNDIIKUNRSQOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-12-3-4-14(17)13(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/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine?
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine has a molecular weight of 282.79 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171169090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).