2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol

C36H41NO5 — CID 45357835

IUPAC2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
SMILESOCCN1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C36H41NO5/c38-22-21-37-23-34(40-25-30-15-7-2-8-16-30)36(42-27-32-19-11-4-12-20-32)35(41-26-31-17-9-3-10-18-31)33(37)28-39-24-29-13-5-1-6-14-29/h1-20,33-36,38H,21-28H2
InChIKeyRMELSKYSYAAZAJ-UHFFFAOYSA-N
MW567.73 g/mol
LogP5.64
Rot. Bonds15

About 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol

2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol (PubChem CID 45357835) has the molecular formula C36H41NO5 and a molecular weight of 567.73 g/mol. Its IUPAC name is 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
PubChem CID45357835
Molecular FormulaC36H41NO5
Molecular Weight567.73 g/mol
Exact Mass567.30
IUPAC Name2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
SMILESOCCN1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C36H41NO5/c38-22-21-37-23-34(40-25-30-15-7-2-8-16-30)36(42-27-32-19-11-4-12-20-32)35(41-26-31-17-9-3-10-18-31)33(37)28-39-24-29-13-5-1-6-14-29/h1-20,33-36,38H,21-28H2
InChIKeyRMELSKYSYAAZAJ-UHFFFAOYSA-N
XLogP5.64
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 157039498
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 58622824
(2S,3R,4R,5S)-1-butyl-5-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 78321409
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol (CID 45357835) is 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol is OCCN1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1COCc1ccccc1.
What is the InChIKey of 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol?
The InChIKey is RMELSKYSYAAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41NO5/c38-22-21-37-23-34(40-25-30-15-7-2-8-16-30)36(42-27-32-19-11-4-12-20-32)35(41-26-31-17-9-3-10-18-31)33(37)28-39-24-29-13-5-1-6-14-29/h1-20,33-36,38H,21-28H2.
What are the key properties of 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol?
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol has a molecular weight of 567.73 g/mol, XLogP of 5.64, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 45357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).