1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine

C17H28N2O2 — CID 174368866

IUPAC1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCCCCN1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-18-9-11-19(12-10-18)14-15-6-7-16(20-2)17(13-15)21-3/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyRWIFLZQQPJMAIZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.62
Rot. Bonds7

About 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine

1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 174368866) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID174368866
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCCCCN1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-18-9-11-19(12-10-18)14-15-6-7-16(20-2)17(13-15)21-3/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyRWIFLZQQPJMAIZ-UHFFFAOYSA-N
XLogP2.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
3-[4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856379
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine (CID 174368866) is 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine is CCCCN1CCN(Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is RWIFLZQQPJMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-8-18-9-11-19(12-10-18)14-15-6-7-16(20-2)17(13-15)21-3/h6-7,13H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 174368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).