1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C17H28N2O3 — CID 51073742

IUPAC1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C17H28N2O3/c1-5-8-18-9-11-19(12-10-18)13-14-6-7-15(20-2)17(22-4)16(14)21-3/h6-7H,5,8-13H2,1-4H3
InChIKeyJWFDOSMBPXPFHY-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.24
Rot. Bonds7

About 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 51073742) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID51073742
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C17H28N2O3/c1-5-8-18-9-11-19(12-10-18)13-14-6-7-15(20-2)17(22-4)16(14)21-3/h6-7H,5,8-13H2,1-4H3
InChIKeyJWFDOSMBPXPFHY-UHFFFAOYSA-N
XLogP2.24
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116
2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenol
CID 15232155
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 51073742) is 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is JWFDOSMBPXPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-8-18-9-11-19(12-10-18)13-14-6-7-15(20-2)17(22-4)16(14)21-3/h6-7H,5,8-13H2,1-4H3.
What are the key properties of 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 308.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 51073742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).