1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine

C15H21FN2 — CID 168514829

IUPAC1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
SMILESFc1cccc(N2CCCC2)c1N1CCCCC1
InChIInChI=1S/C15H21FN2/c16-13-7-6-8-14(17-9-4-5-10-17)15(13)18-11-2-1-3-12-18/h6-8H,1-5,9-12H2
InChIKeyFXNUAFSWCLIPRG-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.42
Rot. Bonds2

About 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine

1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine (PubChem CID 168514829) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
PubChem CID168514829
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
SMILESFc1cccc(N2CCCC2)c1N1CCCCC1
InChIInChI=1S/C15H21FN2/c16-13-7-6-8-14(17-9-4-5-10-17)15(13)18-11-2-1-3-12-18/h6-8H,1-5,9-12H2
InChIKeyFXNUAFSWCLIPRG-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-3-fluoroaniline
CID 81311219
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 71651474
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
CID 82505256
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 117318641
1-(2-azido-6-fluorophenyl)pyrrolidine
CID 150063354
1-[2-fluoro-6-(furan-2-yl)phenyl]pyrrolidine
CID 168527653

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine?
The IUPAC name of 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine (CID 168514829) is 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine.
What is the SMILES notation for 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine?
The canonical SMILES for 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine is Fc1cccc(N2CCCC2)c1N1CCCCC1.
What is the InChIKey of 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine?
The InChIKey is FXNUAFSWCLIPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-13-7-6-8-14(17-9-4-5-10-17)15(13)18-11-2-1-3-12-18/h6-8H,1-5,9-12H2.
What are the key properties of 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine?
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine has a molecular weight of 248.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine is sourced from PubChem (CID 168514829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).