1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine

C19H30N2O3 — CID 171294229

IUPAC1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCCOc1ccc([C@@H](C2CCOCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-3-24-17-5-4-16(14-18(17)22-2)19(15-6-12-23-13-7-15)21-10-8-20-9-11-21/h4-5,14-15,19-20H,3,6-13H2,1-2H3/t19-/m1/s1
InChIKeyNQPQTYBGGGRZBD-LJQANCHMSA-N
MW334.46 g/mol
LogP2.47
Rot. Bonds6

About 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine

1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine (PubChem CID 171294229) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
PubChem CID171294229
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCCOc1ccc([C@@H](C2CCOCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-3-24-17-5-4-16(14-18(17)22-2)19(15-6-12-23-13-7-15)21-10-8-20-9-11-21/h4-5,14-15,19-20H,3,6-13H2,1-2H3/t19-/m1/s1
InChIKeyNQPQTYBGGGRZBD-LJQANCHMSA-N
XLogP2.47
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(R)-(4-methoxy-3-phenylmethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171294768
1-[(R)-(4-methoxy-3-nitrophenyl)-(oxan-4-yl)methyl]piperazine
CID 171288642
1-[(S)-(5-bromo-2-ethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278487
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
1-[(S)-(3,4-diphenoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171272748
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763
1-[(S)-cyclopentyl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280609
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine (CID 171294229) is 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine is CCOc1ccc([C@@H](C2CCOCC2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine?
The InChIKey is NQPQTYBGGGRZBD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-24-17-5-4-16(14-18(17)22-2)19(15-6-12-23-13-7-15)21-10-8-20-9-11-21/h4-5,14-15,19-20H,3,6-13H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine?
1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine has a molecular weight of 334.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171294229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).