6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile

C12H16FN3 — CID 142349705

IUPAC6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC(F)=C1N1CCC(N)CC1
InChIInChI=1S/C12H16FN3/c13-11-3-1-2-9(8-14)12(11)16-6-4-10(15)5-7-16/h2,10H,1,3-7,15H2
InChIKeyQDYLPEGVMDCAHQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.83
Rot. Bonds1

About 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile

6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile (PubChem CID 142349705) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
PubChem CID142349705
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC(F)=C1N1CCC(N)CC1
InChIInChI=1S/C12H16FN3/c13-11-3-1-2-9(8-14)12(11)16-6-4-10(15)5-7-16/h2,10H,1,3-7,15H2
InChIKeyQDYLPEGVMDCAHQ-UHFFFAOYSA-N
XLogP1.83
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-Difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 142532234
1-[(3,5-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
CID 163724671
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600
1-(2-Fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176553006
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223315
1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 162608490
2-(4-Amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile;ethane
CID 142349842
(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile
CID 142349875
2-(4-Amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
CID 142349843

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile (CID 142349705) is 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile is N#CC1=CCCC(F)=C1N1CCC(N)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is QDYLPEGVMDCAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-11-3-1-2-9(8-14)12(11)16-6-4-10(15)5-7-16/h2,10H,1,3-7,15H2.
What are the key properties of 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile?
6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 221.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 142349705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).