1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine

C19H30N2O4 — CID 171286451

IUPAC1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-22-16-5-4-15(18(23-2)19(16)24-3)17(14-6-12-25-13-7-14)21-10-8-20-9-11-21/h4-5,14,17,20H,6-13H2,1-3H3/t17-/m1/s1
InChIKeyIACOHYVNMOAKHA-QGZVFWFLSA-N
MW350.46 g/mol
LogP2.09
Rot. Bonds6

About 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 171286451) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID171286451
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-22-16-5-4-15(18(23-2)19(16)24-3)17(14-6-12-25-13-7-14)21-10-8-20-9-11-21/h4-5,14,17,20H,6-13H2,1-3H3/t17-/m1/s1
InChIKeyIACOHYVNMOAKHA-QGZVFWFLSA-N
XLogP2.09
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763
1-[(S)-[2-methoxy-4-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171284354
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171294229

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 171286451) is 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is IACOHYVNMOAKHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-22-16-5-4-15(18(23-2)19(16)24-3)17(14-6-12-25-13-7-14)21-10-8-20-9-11-21/h4-5,14,17,20H,6-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 350.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).