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

C22H29NO4 — CID 135024205

IUPAC(3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol
SMILESCCN1CC(O)C(OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C22H29NO4/c1-2-23-13-20(24)22(27-15-18-11-7-4-8-12-18)21(25)19(23)16-26-14-17-9-5-3-6-10-17/h3-12,19-22,24-25H,2,13-16H2,1H3/t19?,20?,21-,22?/m1/s1
InChIKeyNKWRYLHWCYLLLG-OFFIPQNZSA-N
MW371.48 g/mol
LogP2.21
Rot. Bonds8

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

(3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol (PubChem CID 135024205) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol.

Molecular Properties

Compound Name(3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol
PubChem CID135024205
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol
SMILESCCN1CC(O)C(OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C22H29NO4/c1-2-23-13-20(24)22(27-15-18-11-7-4-8-12-18)21(25)19(23)16-26-14-17-9-5-3-6-10-17/h3-12,19-22,24-25H,2,13-16H2,1H3/t19?,20?,21-,22?/m1/s1
InChIKeyNKWRYLHWCYLLLG-OFFIPQNZSA-N
XLogP2.21
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol?
The IUPAC name of (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol (CID 135024205) is (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol.
What is the SMILES notation for (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol?
The canonical SMILES for (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol is CCN1CC(O)C(OCc2ccccc2)[C@H](O)C1COCc1ccccc1.
What is the InChIKey of (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol?
The InChIKey is NKWRYLHWCYLLLG-OFFIPQNZSA-N. The full InChI is InChI=1S/C22H29NO4/c1-2-23-13-20(24)22(27-15-18-11-7-4-8-12-18)21(25)19(23)16-26-14-17-9-5-3-6-10-17/h3-12,19-22,24-25H,2,13-16H2,1H3/t19?,20?,21-,22?/m1/s1.
What are the key properties of (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol?
(3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol has a molecular weight of 371.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-4-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,5-diol is sourced from PubChem (CID 135024205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).