1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine

C15H21FN2 — CID 117374397

IUPAC1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
SMILESFc1ccc(N2CCCCC2)c(C2CCCN2)c1
InChIInChI=1S/C15H21FN2/c16-12-6-7-15(18-9-2-1-3-10-18)13(11-12)14-5-4-8-17-14/h6-7,11,14,17H,1-5,8-10H2
InChIKeyPUNZTNDWKDNYKE-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine

1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine (PubChem CID 117374397) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
PubChem CID117374397
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
SMILESFc1ccc(N2CCCCC2)c(C2CCCN2)c1
InChIInChI=1S/C15H21FN2/c16-12-6-7-15(18-9-2-1-3-10-18)13(11-12)14-5-4-8-17-14/h6-7,11,14,17H,1-5,8-10H2
InChIKeyPUNZTNDWKDNYKE-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine
CID 117363390
1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine
CID 117116805
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
[4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenyl]methanol
CID 68912942
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
1-(2,5-difluorophenyl)piperidine
CID 22638080
2-(azepan-2-yl)-5-fluorophenol
CID 107014696

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine?
The IUPAC name of 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine (CID 117374397) is 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine.
What is the SMILES notation for 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine?
The canonical SMILES for 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine is Fc1ccc(N2CCCCC2)c(C2CCCN2)c1.
What is the InChIKey of 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine?
The InChIKey is PUNZTNDWKDNYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-12-6-7-15(18-9-2-1-3-10-18)13(11-12)14-5-4-8-17-14/h6-7,11,14,17H,1-5,8-10H2.
What are the key properties of 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine?
1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine has a molecular weight of 248.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine is sourced from PubChem (CID 117374397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).