4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine

C28H35NO5 — CID 170564476

IUPAC4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc(C3=CCOc4cc(OC5CCCCO5)ccc43)cc2)CC1
InChIInChI=1S/C28H35NO5/c1-30-28(31-2)21-12-15-29(16-13-21)22-8-6-20(7-9-22)24-14-18-32-26-19-23(10-11-25(24)26)34-27-5-3-4-17-33-27/h6-11,14,19,21,27-28H,3-5,12-13,15-18H2,1-2H3
InChIKeyOIENXAKMQDLXEU-UHFFFAOYSA-N
MW465.59 g/mol
LogP5.25
Rot. Bonds7

About 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine

4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine (PubChem CID 170564476) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine
PubChem CID170564476
Molecular FormulaC28H35NO5
Molecular Weight465.59 g/mol
Exact Mass465.25
IUPAC Name4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc(C3=CCOc4cc(OC5CCCCO5)ccc43)cc2)CC1
InChIInChI=1S/C28H35NO5/c1-30-28(31-2)21-12-15-29(16-13-21)22-8-6-20(7-9-22)24-14-18-32-26-19-23(10-11-25(24)26)34-27-5-3-4-17-33-27/h6-11,14,19,21,27-28H,3-5,12-13,15-18H2,1-2H3
InChIKeyOIENXAKMQDLXEU-UHFFFAOYSA-N
XLogP5.25
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine 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

4-(dimethoxymethyl)-1-[4-[(3S,4S)-7-(oxan-2-yloxy)-3-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidine
CID 170564507
1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
CID 134579327
tert-butyl 2-[4-[3-bromo-7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175973134
6-cyclohexyl-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 170705659
1-[4-(6-bromo-2-methoxy-7-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-4-(dimethoxymethyl)piperidine
CID 170705584
(2S)-3-bromo-4-methyl-6-[(2S)-oxan-2-yl]oxy-2H-chromen-2-ol
CID 125486916
4-[8-methoxy-5-[4-(4-propan-2-ylazocan-1-yl)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol
CID 174284843
2-(3-bromophenoxy)oxane
CID 5067264
2-(3,4-dimethylphenoxy)oxane
CID 10987441
9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
6-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-1-fluoro-3-(oxan-2-yl)-7-[4-(trifluoromethyl)phenyl]-9,10-dihydro-8H-cyclohepta[e]indazole
CID 170705867
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine?
The IUPAC name of 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine (CID 170564476) is 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine.
What is the SMILES notation for 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine?
The canonical SMILES for 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine is COC(OC)C1CCN(c2ccc(C3=CCOc4cc(OC5CCCCO5)ccc43)cc2)CC1.
What is the InChIKey of 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine?
The InChIKey is OIENXAKMQDLXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO5/c1-30-28(31-2)21-12-15-29(16-13-21)22-8-6-20(7-9-22)24-14-18-32-26-19-23(10-11-25(24)26)34-27-5-3-4-17-33-27/h6-11,14,19,21,27-28H,3-5,12-13,15-18H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine?
4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine has a molecular weight of 465.59 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-[4-[7-(oxan-2-yloxy)-2H-chromen-4-yl]phenyl]piperidine is sourced from PubChem (CID 170564476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).