1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine

C15H20ClFN2 — CID 171163456

IUPAC1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
SMILESFc1ccc([C@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-13-10-12(3-4-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9H2/t15-/m0/s1
InChIKeyNKDYDTFIPJKQKZ-HNNXBMFYSA-N
MW282.79 g/mol
LogP3.23
Rot. Bonds4

About 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine

1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine (PubChem CID 171163456) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
PubChem CID171163456
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
SMILESFc1ccc([C@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-13-10-12(3-4-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9H2/t15-/m0/s1
InChIKeyNKDYDTFIPJKQKZ-HNNXBMFYSA-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-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
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)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluorobenzonitrile;dihydrochloride
CID 171281020
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171279186
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
CID 171173184

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine (CID 171163456) is 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine is Fc1ccc([C@H](CC2CC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine?
The InChIKey is NKDYDTFIPJKQKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-13-10-12(3-4-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9H2/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine?
1-[(1S)-1-(3-chloro-4-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-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171163456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).