4-(4-bromophenyl)piperidine-4-carbonitrile;ethane

C14H19BrN2 — CID 144857874

IUPAC4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
SMILESCC.N#CC1(c2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C12H13BrN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-8H2;1-2H3
InChIKeyIPJQXCGELYDIIS-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.62
Rot. Bonds1

About 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane

4-(4-bromophenyl)piperidine-4-carbonitrile;ethane (PubChem CID 144857874) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane.

Molecular Properties

Compound Name4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
PubChem CID144857874
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
SMILESCC.N#CC1(c2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C12H13BrN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-8H2;1-2H3
InChIKeyIPJQXCGELYDIIS-UHFFFAOYSA-N
XLogP3.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
1-(4-bromophenyl)-3,3-diethylcyclobutane-1-carbonitrile
CID 65003606
1-(4-bromophenyl)-3-methylidenecyclobutane-1-carbonitrile
CID 166161953
(3S)-3-(4-bromophenyl)oxolane-3-carbonitrile
CID 124544632
4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
CID 67559449
1-(4-bromophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 82382874
(3S)-3-phenylpyrrolidine-3-carbonitrile
CID 124673264
4-(3-ethylphenyl)piperidine-4-carbonitrile
CID 23587408
(3R)-3-(4-bromophenyl)oxane-3-carbonitrile
CID 125449886
4-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 86657551
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane?
The IUPAC name of 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane (CID 144857874) is 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane.
What is the SMILES notation for 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane?
The canonical SMILES for 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane is CC.N#CC1(c2ccc(Br)cc2)CCNCC1.
What is the InChIKey of 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane?
The InChIKey is IPJQXCGELYDIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-8H2;1-2H3.
What are the key properties of 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane?
4-(4-bromophenyl)piperidine-4-carbonitrile;ethane has a molecular weight of 295.22 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)piperidine-4-carbonitrile;ethane is sourced from PubChem (CID 144857874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).