4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine

C24H32ClNO5 — CID 129453637

IUPAC4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine
SMILESCOCCOc1cc(CN2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC
InChIInChI=1S/C24H32ClNO5/c1-27-13-14-30-23-15-19(7-8-22(23)28-2)17-26-11-9-24(29-3,10-12-26)18-31-21-6-4-5-20(25)16-21/h4-8,15-16H,9-14,17-18H2,1-3H3
InChIKeyBGWPYAGQNUYMKO-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.43
Rot. Bonds11

About 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine

4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine (PubChem CID 129453637) has the molecular formula C24H32ClNO5 and a molecular weight of 449.98 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine
PubChem CID129453637
Molecular FormulaC24H32ClNO5
Molecular Weight449.98 g/mol
Exact Mass449.20
IUPAC Name4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine
SMILESCOCCOc1cc(CN2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC
InChIInChI=1S/C24H32ClNO5/c1-27-13-14-30-23-15-19(7-8-22(23)28-2)17-26-11-9-24(29-3,10-12-26)18-31-21-6-4-5-20(25)16-21/h4-8,15-16H,9-14,17-18H2,1-3H3
InChIKeyBGWPYAGQNUYMKO-UHFFFAOYSA-N
XLogP4.43
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-methoxypiperidine
CID 129453505
3-(3-chlorophenoxy)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 55678633
(4R)-1-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]-4-methoxy-4-[(4-methylphenoxy)methyl]azepane
CID 129459919
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780613
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
6-[[4-[(3,4-dichlorophenoxy)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-benzimidazole
CID 129457203
4-[(2-fluorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]azepane
CID 132768515
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
4-[(3,4-dichlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]methyl]azepan-4-ol
CID 132780746
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine (CID 129453637) is 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine is COCCOc1cc(CN2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine?
The InChIKey is BGWPYAGQNUYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO5/c1-27-13-14-30-23-15-19(7-8-22(23)28-2)17-26-11-9-24(29-3,10-12-26)18-31-21-6-4-5-20(25)16-21/h4-8,15-16H,9-14,17-18H2,1-3H3.
What are the key properties of 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine?
4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine has a molecular weight of 449.98 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-4-methoxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 129453637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).