4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid

C21H32N2O6 — CID 17369761

IUPAC4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
SMILESCOc1cccc(CN2CCC(N3CC(C)OC(C)C3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O2.C2H2O4/c1-15-12-21(13-16(2)23-15)18-7-9-20(10-8-18)14-17-5-4-6-19(11-17)22-3;3-1(4)2(5)6/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKIJXSWWWRSWPML-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.92
Rot. Bonds4

About 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid

4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 17369761) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID17369761
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Name4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
SMILESCOc1cccc(CN2CCC(N3CC(C)OC(C)C3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O2.C2H2O4/c1-15-12-21(13-16(2)23-15)18-7-9-20(10-8-18)14-17-5-4-6-19(11-17)22-3;3-1(4)2(5)6/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKIJXSWWWRSWPML-UHFFFAOYSA-N
XLogP1.92
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56759926
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid (CID 17369761) is 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid is COc1cccc(CN2CCC(N3CC(C)OC(C)C3)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is KIJXSWWWRSWPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.C2H2O4/c1-15-12-21(13-16(2)23-15)18-7-9-20(10-8-18)14-17-5-4-6-19(11-17)22-3;3-1(4)2(5)6/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 408.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 17369761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).