1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C18H30N2O3 — CID 3150606

IUPAC1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1
InChIInChI=1S/C18H30N2O3/c1-6-14(2)20-9-7-19(8-10-20)13-15-11-17(22-4)18(23-5)12-16(15)21-3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyZGASDOKQTKUXBI-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.63
Rot. Bonds7

About 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 3150606) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID3150606
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1
InChIInChI=1S/C18H30N2O3/c1-6-14(2)20-9-7-19(8-10-20)13-15-11-17(22-4)18(23-5)12-16(15)21-3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyZGASDOKQTKUXBI-UHFFFAOYSA-N
XLogP2.63
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
1-[(2-bromo-5-methoxyphenyl)methyl]-4-butan-2-ylpiperazine
CID 65326018
3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203197
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2902257
1-(2-adamantyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 997983
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
4-bromo-2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenol
CID 82979345
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 3150606) is 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is CCC(C)N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is ZGASDOKQTKUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-14(2)20-9-7-19(8-10-20)13-15-11-17(22-4)18(23-5)12-16(15)21-3/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3150606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).