2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine

C19H28FNO2 — CID 67499610

IUPAC2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine
SMILESCOc1ccc(F)cc1CC[C@@H]1CC[C@@H](CC2CCCCN2)O1
InChIInChI=1S/C19H28FNO2/c1-22-19-10-6-15(20)12-14(19)5-7-17-8-9-18(23-17)13-16-4-2-3-11-21-16/h6,10,12,16-18,21H,2-5,7-9,11,13H2,1H3/t16?,17-,18+/m1/s1
InChIKeyCLORCCPISZXEFV-RWZMTBSZSA-N
MW321.44 g/mol
LogP3.85
Rot. Bonds6

About 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine

2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine (PubChem CID 67499610) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine
PubChem CID67499610
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine
SMILESCOc1ccc(F)cc1CC[C@@H]1CC[C@@H](CC2CCCCN2)O1
InChIInChI=1S/C19H28FNO2/c1-22-19-10-6-15(20)12-14(19)5-7-17-8-9-18(23-17)13-16-4-2-3-11-21-16/h6,10,12,16-18,21H,2-5,7-9,11,13H2,1H3/t16?,17-,18+/m1/s1
InChIKeyCLORCCPISZXEFV-RWZMTBSZSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine 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

2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
CID 25258809
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694
2-[(2S,5R)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]acetonitrile
CID 25258804
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
CID 143195185
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine?
The IUPAC name of 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine (CID 67499610) is 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine.
What is the SMILES notation for 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine?
The canonical SMILES for 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine is COc1ccc(F)cc1CC[C@@H]1CC[C@@H](CC2CCCCN2)O1.
What is the InChIKey of 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine?
The InChIKey is CLORCCPISZXEFV-RWZMTBSZSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-22-19-10-6-15(20)12-14(19)5-7-17-8-9-18(23-17)13-16-4-2-3-11-21-16/h6,10,12,16-18,21H,2-5,7-9,11,13H2,1H3/t16?,17-,18+/m1/s1.
What are the key properties of 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine?
2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine has a molecular weight of 321.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,5R)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methyl]piperidine is sourced from PubChem (CID 67499610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).