(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride

C13H19Cl2FN2O — CID 120966667

IUPAC(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1CCOc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-10-9-16-4-5-17(10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H/t10-;/m1./s1
InChIKeyKSGMTNWMPSITLB-HNCPQSOCSA-N
MW309.21 g/mol
LogP2.57
Rot. Bonds4

About (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride

(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride (PubChem CID 120966667) has the molecular formula C13H19Cl2FN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
PubChem CID120966667
Molecular FormulaC13H19Cl2FN2O
Molecular Weight309.21 g/mol
Exact Mass308.09
IUPAC Name(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1CCOc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-10-9-16-4-5-17(10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H/t10-;/m1./s1
InChIKeyKSGMTNWMPSITLB-HNCPQSOCSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
(2R)-1-[2-(2,5-dimethylphenoxy)ethyl]-2-methylpiperazine
CID 82713741
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
3-(2-chloro-4-fluorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120880856
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride (CID 120966667) is (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1CCOc1ccc(F)cc1Cl.Cl.
What is the InChIKey of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?
The InChIKey is KSGMTNWMPSITLB-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H18ClFN2O.ClH/c1-10-9-16-4-5-17(10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride has a molecular weight of 309.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120966667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).