(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile

C13H16FN3 — CID 171306546

IUPAC(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
SMILESN#CC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H16FN3/c14-12-3-1-11(2-4-12)13(5-6-15)17-9-7-16-8-10-17/h1-4,13,16H,5,7-10H2/t13-/m1/s1
InChIKeyUGMYKJLFFFBXPF-CYBMUJFWSA-N
MW233.29 g/mol
LogP1.69
Rot. Bonds3

About (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile

(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile (PubChem CID 171306546) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
PubChem CID171306546
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
SMILESN#CC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H16FN3/c14-12-3-1-11(2-4-12)13(5-6-15)17-9-7-16-8-10-17/h1-4,13,16H,5,7-10H2/t13-/m1/s1
InChIKeyUGMYKJLFFFBXPF-CYBMUJFWSA-N
XLogP1.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-bromophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306575
5-[(1R)-2-cyano-1-piperazin-1-ylethyl]-2-fluorobenzonitrile;dihydrochloride
CID 171307021
(3R)-3-(2-chloro-5-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306788
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3S)-3-(4-ethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305873
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(3S)-3-(3,4-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305864
(3S)-3-(2-bromo-5-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305955
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
(3S)-3-(4-fluoro-2-methylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305920
(3S)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306147

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile (CID 171306546) is (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile is N#CC[C@H](c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile?
The InChIKey is UGMYKJLFFFBXPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FN3/c14-12-3-1-11(2-4-12)13(5-6-15)17-9-7-16-8-10-17/h1-4,13,16H,5,7-10H2/t13-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile?
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile has a molecular weight of 233.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile is sourced from PubChem (CID 171306546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).