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

C13H19ClN2O — CID 96925924

IUPAC(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
SMILESC[C@@H]1CN(CCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2O/c1-11-10-16(7-6-15-11)8-9-17-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1
InChIKeyRNSFVCBHQGHEGQ-LLVKDONJSA-N
MW254.76 g/mol
LogP2.01
Rot. Bonds4

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

(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine (PubChem CID 96925924) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
PubChem CID96925924
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
SMILESC[C@@H]1CN(CCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2O/c1-11-10-16(7-6-15-11)8-9-17-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1
InChIKeyRNSFVCBHQGHEGQ-LLVKDONJSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
CID 119924404
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine
CID 22036410
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
CID 65447506
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine (CID 96925924) is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine is C[C@@H]1CN(CCOc2ccc(Cl)cc2)CCN1.
What is the InChIKey of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine?
The InChIKey is RNSFVCBHQGHEGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11-10-16(7-6-15-11)8-9-17-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine?
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine has a molecular weight of 254.76 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine is sourced from PubChem (CID 96925924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).