4-(4-fluoroanilino)piperidine-4-carbonitrile

C12H14FN3 — CID 61244283

IUPAC4-(4-fluoroanilino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H14FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2
InChIKeyDQROBDYXGWYFRB-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.88
Rot. Bonds2

About 4-(4-fluoroanilino)piperidine-4-carbonitrile

4-(4-fluoroanilino)piperidine-4-carbonitrile (PubChem CID 61244283) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(4-fluoroanilino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoroanilino)piperidine-4-carbonitrile
PubChem CID61244283
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-(4-fluoroanilino)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H14FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2
InChIKeyDQROBDYXGWYFRB-UHFFFAOYSA-N
XLogP1.88
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoroanilino)oxane-4-carbonitrile
CID 60986746
2-(4-fluoroanilino)-1,3-dihydroindene-2-carbonitrile
CID 54886726
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
CID 105480872
4-(2-bromoanilino)piperidine-4-carbonitrile
CID 61244841
3-ethoxy-1-(4-fluoroanilino)cyclobutane-1-carbonitrile
CID 106822392
4-(3-fluoroanilino)-2-methylpiperidine-4-carbonitrile
CID 68663847
8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile
CID 114818285
4-(4-bromoanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982820
1-(4-bromoanilino)-3,3-dimethylcyclopentane-1-carbonitrile
CID 80706082
3-(3-fluoro-5-methylanilino)azetidine-3-carbonitrile
CID 79307146
4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 61244098
4-(3-fluoroanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982863

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)piperidine-4-carbonitrile?
The IUPAC name of 4-(4-fluoroanilino)piperidine-4-carbonitrile (CID 61244283) is 4-(4-fluoroanilino)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-fluoroanilino)piperidine-4-carbonitrile?
The canonical SMILES for 4-(4-fluoroanilino)piperidine-4-carbonitrile is N#CC1(Nc2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-(4-fluoroanilino)piperidine-4-carbonitrile?
The InChIKey is DQROBDYXGWYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-8H2.
What are the key properties of 4-(4-fluoroanilino)piperidine-4-carbonitrile?
4-(4-fluoroanilino)piperidine-4-carbonitrile has a molecular weight of 219.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)piperidine-4-carbonitrile is sourced from PubChem (CID 61244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).