1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

C42H45NO5 — CID 58622824

IUPAC1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESCOc1ccc(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2COCc2ccccc2)cc1
InChIInChI=1S/C42H45NO5/c1-44-38-24-22-33(23-25-38)26-43-27-40(46-29-35-16-8-3-9-17-35)42(48-31-37-20-12-5-13-21-37)41(47-30-36-18-10-4-11-19-36)39(43)32-45-28-34-14-6-2-7-15-34/h2-25,39-42H,26-32H2,1H3
InChIKeyBQVPDSFGYCIWHG-UHFFFAOYSA-N
MW643.82 g/mol
LogP7.85
Rot. Bonds16

About 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (PubChem CID 58622824) has the molecular formula C42H45NO5 and a molecular weight of 643.82 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
PubChem CID58622824
Molecular FormulaC42H45NO5
Molecular Weight643.82 g/mol
Exact Mass643.33
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESCOc1ccc(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2COCc2ccccc2)cc1
InChIInChI=1S/C42H45NO5/c1-44-38-24-22-33(23-25-38)26-43-27-40(46-29-35-16-8-3-9-17-35)42(48-31-37-20-12-5-13-21-37)41(47-30-36-18-10-4-11-19-36)39(43)32-45-28-34-14-6-2-7-15-34/h2-25,39-42H,26-32H2,1H3
InChIKeyBQVPDSFGYCIWHG-UHFFFAOYSA-N
XLogP7.85
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.82
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)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

(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 172541746
1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 178065868
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(2S,3R,4R,5S)-1-butyl-5-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 78321409
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (CID 58622824) is 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is COc1ccc(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2COCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The InChIKey is BQVPDSFGYCIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45NO5/c1-44-38-24-22-33(23-25-38)26-43-27-40(46-29-35-16-8-3-9-17-35)42(48-31-37-20-12-5-13-21-37)41(47-30-36-18-10-4-11-19-36)39(43)32-45-28-34-14-6-2-7-15-34/h2-25,39-42H,26-32H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine has a molecular weight of 643.82 g/mol, XLogP of 7.85, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 58622824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).