(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine

C15H24N2O — CID 150274574

IUPAC(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-8-16-9-10-17(13(2)12-16)14-6-5-7-15(11-14)18-3/h5-7,11,13H,4,8-10,12H2,1-3H3/t13-/m0/s1
InChIKeyGEGZIXXKKNKKQF-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds4

About (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine

(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine (PubChem CID 150274574) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine.

Molecular Properties

Compound Name(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
PubChem CID150274574
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-8-16-9-10-17(13(2)12-16)14-6-5-7-15(11-14)18-3/h5-7,11,13H,4,8-10,12H2,1-3H3/t13-/m0/s1
InChIKeyGEGZIXXKKNKKQF-ZDUSSCGKSA-N
XLogP2.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propyl]-1H-indole-3-carbonitrile
CID 10150610
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
(2S)-1-(4-chlorophenyl)-2-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
CID 40527419
1-(3-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975485
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
6-methoxy-4-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6462906
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-phenothiazin-10-ylmethanone
CID 6581037
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162801184

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine?
The IUPAC name of (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine (CID 150274574) is (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine.
What is the SMILES notation for (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine?
The canonical SMILES for (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine is CCCN1CCN(c2cccc(OC)c2)[C@@H](C)C1.
What is the InChIKey of (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine?
The InChIKey is GEGZIXXKKNKKQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-8-16-9-10-17(13(2)12-16)14-6-5-7-15(11-14)18-3/h5-7,11,13H,4,8-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine?
(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine is sourced from PubChem (CID 150274574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).