2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine

C20H25FN2O — CID 155992910

IUPAC2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
SMILESCO[C@H]1CN(Cc2ncccc2C)CC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-15-6-5-10-22-19(15)13-23-11-9-17(20(14-23)24-2)12-16-7-3-4-8-18(16)21/h3-8,10,17,20H,9,11-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyCEDSLQSGKGQXBL-XLIONFOSSA-N
MW328.43 g/mol
LogP3.61
Rot. Bonds5

About 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine

2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine (PubChem CID 155992910) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
PubChem CID155992910
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
SMILESCO[C@H]1CN(Cc2ncccc2C)CC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-15-6-5-10-22-19(15)13-23-11-9-17(20(14-23)24-2)12-16-7-3-4-8-18(16)21/h3-8,10,17,20H,9,11-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyCEDSLQSGKGQXBL-XLIONFOSSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole
CID 155992892
(4S,5S)-5-(2-fluorophenoxy)-1-[(3-methyl-2-pyridinyl)methyl]azepan-4-ol
CID 155987584
(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 155992563
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 112651020
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
(4S,5S)-5-(3-fluorophenoxy)-1-[(3-methyl-2-pyridinyl)methyl]azepan-4-ol
CID 155987585
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine?
The IUPAC name of 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine (CID 155992910) is 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine is CO[C@H]1CN(Cc2ncccc2C)CC[C@@H]1Cc1ccccc1F.
What is the InChIKey of 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine?
The InChIKey is CEDSLQSGKGQXBL-XLIONFOSSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15-6-5-10-22-19(15)13-23-11-9-17(20(14-23)24-2)12-16-7-3-4-8-18(16)21/h3-8,10,17,20H,9,11-14H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine?
2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine has a molecular weight of 328.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine is sourced from PubChem (CID 155992910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).