3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine

C17H25FN2O — CID 120850211

IUPAC3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
SMILESFc1ccc(OCC2CCCN2CC2CCCNC2)cc1
InChIInChI=1S/C17H25FN2O/c18-15-5-7-17(8-6-15)21-13-16-4-2-10-20(16)12-14-3-1-9-19-11-14/h5-8,14,16,19H,1-4,9-13H2
InChIKeyWCFVEGRVBDGFKY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.67
Rot. Bonds5

About 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine

3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine (PubChem CID 120850211) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
PubChem CID120850211
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
SMILESFc1ccc(OCC2CCCN2CC2CCCNC2)cc1
InChIInChI=1S/C17H25FN2O/c18-15-5-7-17(8-6-15)21-13-16-4-2-10-20(16)12-14-3-1-9-19-11-14/h5-8,14,16,19H,1-4,9-13H2
InChIKeyWCFVEGRVBDGFKY-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
CID 138053708
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine (CID 120850211) is 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine is Fc1ccc(OCC2CCCN2CC2CCCNC2)cc1.
What is the InChIKey of 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is WCFVEGRVBDGFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-5-7-17(8-6-15)21-13-16-4-2-10-20(16)12-14-3-1-9-19-11-14/h5-8,14,16,19H,1-4,9-13H2.
What are the key properties of 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine?
3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 292.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 120850211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).