2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

C19H26N4O3 — CID 3788798

IUPAC2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(CCN2CCN(c3ncccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O3/c1-24-16-13-15(14-17(25-2)18(16)26-3)5-8-22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,13-14H,5,8-12H2,1-3H3
InChIKeyNAZFATJOQYKBEH-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 3788798) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID3788798
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(CCN2CCN(c3ncccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O3/c1-24-16-13-15(14-17(25-2)18(16)26-3)5-8-22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,13-14H,5,8-12H2,1-3H3
InChIKeyNAZFATJOQYKBEH-UHFFFAOYSA-N
XLogP1.87
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376987
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
N'-methyl-4-pyrimidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111205746
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,5-dihydropyrrole;hydrochloride
CID 3046364
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (CID 3788798) is 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is COc1cc(CCN2CCN(c3ncccn3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is NAZFATJOQYKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-24-16-13-15(14-17(25-2)18(16)26-3)5-8-22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,13-14H,5,8-12H2,1-3H3.
What are the key properties of 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 358.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 3788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).