(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol

C24H33NO4 — CID 169438097

IUPAC(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC(OCc2ccccc2)[C@H](O)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-2-3-14-25-15-22(29-17-20-12-8-5-9-13-20)24(27)23(26)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3/t21?,22?,23-,24+/m1/s1
InChIKeyVUGUTIOWLDKZBP-ZQHBMWIYSA-N
MW399.53 g/mol
LogP2.99
Rot. Bonds10

About (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol

(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol (PubChem CID 169438097) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
PubChem CID169438097
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC(OCc2ccccc2)[C@H](O)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-2-3-14-25-15-22(29-17-20-12-8-5-9-13-20)24(27)23(26)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3/t21?,22?,23-,24+/m1/s1
InChIKeyVUGUTIOWLDKZBP-ZQHBMWIYSA-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

1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
CID 139292716
(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
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
CID 53230988
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
CID 173332669
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol (CID 169438097) is (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol is CCCCN1CC(OCc2ccccc2)[C@H](O)[C@H](O)C1COCc1ccccc1.
What is the InChIKey of (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol?
The InChIKey is VUGUTIOWLDKZBP-ZQHBMWIYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-2-3-14-25-15-22(29-17-20-12-8-5-9-13-20)24(27)23(26)21(25)18-28-16-19-10-6-4-7-11-19/h4-13,21-24,26-27H,2-3,14-18H2,1H3/t21?,22?,23-,24+/m1/s1.
What are the key properties of (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol?
(3R,4R)-1-butyl-5-phenylmethoxy-2-(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 (3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 169438097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).