1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine

C16H26N2OS — CID 170639137

IUPAC1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2cccc(S(=O)C(C)C)c2)CC1
InChIInChI=1S/C16H26N2OS/c1-4-17-8-10-18(11-9-17)13-15-6-5-7-16(12-15)20(19)14(2)3/h5-7,12,14H,4,8-11,13H2,1-3H3
InChIKeyHFJDKNBICVTBGQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.34
Rot. Bonds5

About 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine

1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine (PubChem CID 170639137) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine
PubChem CID170639137
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2cccc(S(=O)C(C)C)c2)CC1
InChIInChI=1S/C16H26N2OS/c1-4-17-8-10-18(11-9-17)13-15-6-5-7-16(12-15)20(19)14(2)3/h5-7,12,14H,4,8-11,13H2,1-3H3
InChIKeyHFJDKNBICVTBGQ-UHFFFAOYSA-N
XLogP2.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
9-[(3-methylsulfinylphenyl)methyl]-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;hydrate
CID 171565639
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
1-[(3-ethylphenyl)methyl]-4-propan-2-ylsulfonylpiperazine
CID 123477126
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 60646822
1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine
CID 167109777
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62433616

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine (CID 170639137) is 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine is CCN1CCN(Cc2cccc(S(=O)C(C)C)c2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine?
The InChIKey is HFJDKNBICVTBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-17-8-10-18(11-9-17)13-15-6-5-7-16(12-15)20(19)14(2)3/h5-7,12,14H,4,8-11,13H2,1-3H3.
What are the key properties of 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine?
1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine has a molecular weight of 294.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine is sourced from PubChem (CID 170639137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).