(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine

C16H25ClN2O2 — CID 95348975

IUPAC(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C
InChIInChI=1S/C16H25ClN2O2/c1-14-13-18(6-7-19(14)9-10-20-2)8-11-21-16-5-3-4-15(17)12-16/h3-5,12,14H,6-11,13H2,1-2H3/t14-/m0/s1
InChIKeyJOVMZILKGYTAOV-AWEZNQCLSA-N
MW312.84 g/mol
LogP2.37
Rot. Bonds7

About (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine

(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine (PubChem CID 95348975) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
PubChem CID95348975
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C
InChIInChI=1S/C16H25ClN2O2/c1-14-13-18(6-7-19(14)9-10-20-2)8-11-21-16-5-3-4-15(17)12-16/h3-5,12,14H,6-11,13H2,1-2H3/t14-/m0/s1
InChIKeyJOVMZILKGYTAOV-AWEZNQCLSA-N
XLogP2.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364
(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95750583
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The IUPAC name of (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine (CID 95348975) is (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The canonical SMILES for (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine is COCCN1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C.
What is the InChIKey of (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The InChIKey is JOVMZILKGYTAOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-14-13-18(6-7-19(14)9-10-20-2)8-11-21-16-5-3-4-15(17)12-16/h3-5,12,14H,6-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine?
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine has a molecular weight of 312.84 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine is sourced from PubChem (CID 95348975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).