1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

C15H21Cl2FN2 — CID 171168859

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C15H20ClFN2.ClH/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;1H/t15-;/m1./s1
InChIKeyFBVXERMTEKBWOZ-XFULWGLBSA-N
MW319.25 g/mol
LogP3.65
Rot. Bonds4

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (PubChem CID 171168859) has the molecular formula C15H21Cl2FN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
PubChem CID171168859
Molecular FormulaC15H21Cl2FN2
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C15H20ClFN2.ClH/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;1H/t15-;/m1./s1
InChIKeyFBVXERMTEKBWOZ-XFULWGLBSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
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-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
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-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (CID 171168859) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is Cl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The InChIKey is FBVXERMTEKBWOZ-XFULWGLBSA-N. The full InChI is InChI=1S/C15H20ClFN2.ClH/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;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride has a molecular weight of 319.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is sourced from PubChem (CID 171168859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).