1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine

C19H31N3O2 — CID 120968478

IUPAC1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
SMILESCCOCc1cc(CN2CCC(N3CCNCC3)C2)ccc1OC
InChIInChI=1S/C19H31N3O2/c1-3-24-15-17-12-16(4-5-19(17)23-2)13-21-9-6-18(14-21)22-10-7-20-8-11-22/h4-5,12,18,20H,3,6-11,13-15H2,1-2H3
InChIKeyLFRKBYDFNMTBJE-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.71
Rot. Bonds7

About 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine

1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968478) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968478
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
SMILESCCOCc1cc(CN2CCC(N3CCNCC3)C2)ccc1OC
InChIInChI=1S/C19H31N3O2/c1-3-24-15-17-12-16(4-5-19(17)23-2)13-21-9-6-18(14-21)22-10-7-20-8-11-22/h4-5,12,18,20H,3,6-11,13-15H2,1-2H3
InChIKeyLFRKBYDFNMTBJE-UHFFFAOYSA-N
XLogP1.71
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967797
1-[1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968570
(3R,4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164691677
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967904
1-[1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968049
N-ethyl-2-[2-methoxy-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide
CID 120968045
1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967766
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
(1S,5S)-3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74243892
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine (CID 120968478) is 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine is CCOCc1cc(CN2CCC(N3CCNCC3)C2)ccc1OC.
What is the InChIKey of 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is LFRKBYDFNMTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-24-15-17-12-16(4-5-19(17)23-2)13-21-9-6-18(14-21)22-10-7-20-8-11-22/h4-5,12,18,20H,3,6-11,13-15H2,1-2H3.
What are the key properties of 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine?
1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 333.48 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).