4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride

C12H13Cl2FN2 — CID 67531755

IUPAC4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H12ClFN2.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)3-5-16-6-4-12;/h1-2,7,16H,3-6H2;1H
InChIKeyPAIYETXYUQRQER-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.05
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride

4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride (PubChem CID 67531755) has the molecular formula C12H13Cl2FN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
PubChem CID67531755
Molecular FormulaC12H13Cl2FN2
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H12ClFN2.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)3-5-16-6-4-12;/h1-2,7,16H,3-6H2;1H
InChIKeyPAIYETXYUQRQER-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride (CID 67531755) is 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(c2ccc(Cl)cc2F)CCNCC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The InChIKey is PAIYETXYUQRQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)3-5-16-6-4-12;/h1-2,7,16H,3-6H2;1H.
What are the key properties of 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride has a molecular weight of 275.15 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67531755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).