2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine

C20H26N2O3 — CID 69156390

IUPAC2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine
SMILESCOCCOc1ncccc1OC[C@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-23-12-13-24-20-19(8-5-10-22-20)25-15-17-14-21-11-9-18(17)16-6-3-2-4-7-16/h2-8,10,17-18,21H,9,11-15H2,1H3/t17-,18-/m1/s1
InChIKeyYWOJKSUKPYWJEY-QZTJIDSGSA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds8

About 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine

2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine (PubChem CID 69156390) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine
PubChem CID69156390
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine
SMILESCOCCOc1ncccc1OC[C@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-23-12-13-24-20-19(8-5-10-22-20)25-15-17-14-21-11-9-18(17)16-6-3-2-4-7-16/h2-8,10,17-18,21H,9,11-15H2,1H3/t17-,18-/m1/s1
InChIKeyYWOJKSUKPYWJEY-QZTJIDSGSA-N
XLogP2.88
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-3-[(4-phenylpiperidin-3-yl)methoxy]pyridine
CID 69156389
(E)-but-2-enedioic acid;2-ethoxy-3-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]pyridine
CID 162319685
2-ethyl-3-[(4-phenylpiperidin-3-yl)methoxy]pyridine
CID 69448397
(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
CID 69451601
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide
CID 69155626
3-ethyl-4-phenylpiperidine
CID 56828112
(E)-but-2-enedioic acid;3-methoxy-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzonitrile
CID 158801324
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
3-[[(3R,4S)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidin-3-yl]methoxy]pyridine
CID 126676929
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
oxalic acid;(3R,4S)-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine
CID 67638077

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine (CID 69156390) is 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine is COCCOc1ncccc1OC[C@H]1CNCC[C@@H]1c1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine?
The InChIKey is YWOJKSUKPYWJEY-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-12-13-24-20-19(8-5-10-22-20)25-15-17-14-21-11-9-18(17)16-6-3-2-4-7-16/h2-8,10,17-18,21H,9,11-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine?
2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine has a molecular weight of 342.44 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-[[(3R,4S)-4-phenylpiperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 69156390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).