1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol

C24H33NO4 — CID 139292716

IUPAC1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC(O)C(O)C(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-2-3-14-25-15-22(26)23(27)24(29-17-20-12-8-5-9-13-20)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3
InChIKeyBRMCCSFIIZVMCT-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.99
Rot. Bonds10

About 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol

1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol (PubChem CID 139292716) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
PubChem CID139292716
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC(O)C(O)C(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-2-3-14-25-15-22(26)23(27)24(29-17-20-12-8-5-9-13-20)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3
InChIKeyBRMCCSFIIZVMCT-UHFFFAOYSA-N
XLogP2.99
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(2S,3R,4R,5S)-1-butyl-5-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 78321409
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
(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-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
benzyl (2R,3R,4R,5S,6R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)azepane-1-carboxylate
CID 11721325
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol?
The IUPAC name of 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol (CID 139292716) is 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol.
What is the SMILES notation for 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol?
The canonical SMILES for 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol is CCCCN1CC(O)C(O)C(OCc2ccccc2)C1COCc1ccccc1.
What is the InChIKey of 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol?
The InChIKey is BRMCCSFIIZVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-2-3-14-25-15-22(26)23(27)24(29-17-20-12-8-5-9-13-20)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3.
What are the key properties of 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol?
1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol has a molecular weight of 399.53 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 139292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).