(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine

C15H24N2O — CID 120845894

IUPAC(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCCc1cc(OC)ccc1CN1CCN[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-13-9-15(18-3)6-5-14(13)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWFSQPDZBGBIFDT-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds4

About (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine

(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 120845894) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID120845894
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCCc1cc(OC)ccc1CN1CCN[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-13-9-15(18-3)6-5-14(13)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWFSQPDZBGBIFDT-LBPRGKRZSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperazine
CID 113345867
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 120840123
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine (CID 120845894) is (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine is CCc1cc(OC)ccc1CN1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is WFSQPDZBGBIFDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-9-15(18-3)6-5-14(13)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine?
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 120845894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).