(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine

C13H20N2O — CID 145414339

IUPAC(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine
SMILESCOc1cc(C)cc(N2CCNC[C@@H]2C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-12(8-13(7-10)16-3)15-5-4-14-9-11(15)2/h6-8,11,14H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyPOFGORVOIHJVTP-NSHDSACASA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds2

About (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine

(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine (PubChem CID 145414339) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine
PubChem CID145414339
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine
SMILESCOc1cc(C)cc(N2CCNC[C@@H]2C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-12(8-13(7-10)16-3)15-5-4-14-9-11(15)2/h6-8,11,14H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyPOFGORVOIHJVTP-NSHDSACASA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64938786
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
CID 155709453
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
1-(3-methoxy-4-nitrophenyl)-2-methylpiperazine
CID 63671862
2-bromo-1-(3-methoxyphenyl)piperazine
CID 139991788
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine (CID 145414339) is (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine is COc1cc(C)cc(N2CCNC[C@@H]2C)c1.
What is the InChIKey of (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine?
The InChIKey is POFGORVOIHJVTP-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-12(8-13(7-10)16-3)15-5-4-14-9-11(15)2/h6-8,11,14H,4-5,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine?
(2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxy-5-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 145414339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).