1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride

C17H30Cl2N2O4 — CID 3049530

IUPAC1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCOc1ccc(CN2CCN(CC(C)O)CC2)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C17H28N2O4.2ClH/c1-13(20)11-18-7-9-19(10-8-18)12-14-5-6-15(21-2)17(23-4)16(14)22-3;;/h5-6,13,20H,7-12H2,1-4H3;2*1H
InChIKeyFFDSAJWFXBPZHQ-UHFFFAOYSA-N
MW397.34 g/mol
LogP2.05
Rot. Bonds7

About 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride

1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride (PubChem CID 3049530) has the molecular formula C17H30Cl2N2O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
PubChem CID3049530
Molecular FormulaC17H30Cl2N2O4
Molecular Weight397.34 g/mol
Exact Mass396.16
IUPAC Name1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCOc1ccc(CN2CCN(CC(C)O)CC2)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C17H28N2O4.2ClH/c1-13(20)11-18-7-9-19(10-8-18)12-14-5-6-15(21-2)17(23-4)16(14)22-3;;/h5-6,13,20H,7-12H2,1-4H3;2*1H
InChIKeyFFDSAJWFXBPZHQ-UHFFFAOYSA-N
XLogP2.05
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 12902639
2,3-dimethoxy-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 15232152
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
(2R)-2-amino-4-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 70457281
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-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride (CID 3049530) is 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride is COc1ccc(CN2CCN(CC(C)O)CC2)c(OC)c1OC.Cl.Cl.
What is the InChIKey of 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride?
The InChIKey is FFDSAJWFXBPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4.2ClH/c1-13(20)11-18-7-9-19(10-8-18)12-14-5-6-15(21-2)17(23-4)16(14)22-3;;/h5-6,13,20H,7-12H2,1-4H3;2*1H.
What are the key properties of 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride?
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride has a molecular weight of 397.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 3049530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).