(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine

C21H35N2O4+ — CID 6556240

IUPAC(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine
SMILESCOc1cc(OC)c(OC)cc1C[NH+]1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1
InChIInChI=1S/C21H34N2O4/c1-15-12-23(13-16(2)27-15)18-6-8-22(9-7-18)14-17-10-20(25-4)21(26-5)11-19(17)24-3/h10-11,15-16,18H,6-9,12-14H2,1-5H3/p+1/t15-,16-/m1/s1
InChIKeyYJXDCYFODFWQFP-HZPDHXFCSA-O
MW379.52 g/mol
LogP1.37
Rot. Bonds6

About (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine

(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine (PubChem CID 6556240) has the molecular formula C21H35N2O4+ and a molecular weight of 379.52 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine
PubChem CID6556240
Molecular FormulaC21H35N2O4+
Molecular Weight379.52 g/mol
Exact Mass379.26
IUPAC Name(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine
SMILESCOc1cc(OC)c(OC)cc1C[NH+]1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1
InChIInChI=1S/C21H34N2O4/c1-15-12-23(13-16(2)27-15)18-6-8-22(9-7-18)14-17-10-20(25-4)21(26-5)11-19(17)24-3/h10-11,15-16,18H,6-9,12-14H2,1-5H3/p+1/t15-,16-/m1/s1
InChIKeyYJXDCYFODFWQFP-HZPDHXFCSA-O
XLogP1.37
TPSA44.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine with MolForge

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Related Compounds

(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 6556241
1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-ol
CID 6939511
1-methyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7344854
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8829131
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
1-[(1S,3S)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6969723
1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 7319029
1-[(1-methylpyrrol-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755435
1-(pyridin-4-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755433
1-[(2R)-butan-2-yl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6944893
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8871473

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine (CID 6556240) is (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine is COc1cc(OC)c(OC)cc1C[NH+]1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine?
The InChIKey is YJXDCYFODFWQFP-HZPDHXFCSA-O. The full InChI is InChI=1S/C21H34N2O4/c1-15-12-23(13-16(2)27-15)18-6-8-22(9-7-18)14-17-10-20(25-4)21(26-5)11-19(17)24-3/h10-11,15-16,18H,6-9,12-14H2,1-5H3/p+1/t15-,16-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine?
(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine has a molecular weight of 379.52 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholine is sourced from PubChem (CID 6556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).