4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine

C19H30N2O3 — CID 97158896

IUPAC4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCOc1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-22-18-7-6-16(13-19(18)23-2)14-21-8-4-3-5-17(21)15-20-9-11-24-12-10-20/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeySVWFUORIVJPICL-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.39
Rot. Bonds6

About 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine

4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine (PubChem CID 97158896) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
PubChem CID97158896
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCOc1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-22-18-7-6-16(13-19(18)23-2)14-21-8-4-3-5-17(21)15-20-9-11-24-12-10-20/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeySVWFUORIVJPICL-KRWDZBQOSA-N
XLogP2.39
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99951624
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
2-[4-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77098358
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
4-[(2-ethylazepan-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 106788955
4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
CID 70717732

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine (CID 97158896) is 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine is COc1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1OC.
What is the InChIKey of 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is SVWFUORIVJPICL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-22-18-7-6-16(13-19(18)23-2)14-21-8-4-3-5-17(21)15-20-9-11-24-12-10-20/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine?
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 97158896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).