2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride

C13H17ClN2 — CID 121398834

IUPAC2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride
SMILESCl.N#CCc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H16N2.ClH/c14-8-5-11-1-3-12(4-2-11)13-6-9-15-10-7-13;/h1-4,13,15H,5-7,9-10H2;1H
InChIKeySZPHBQAJCPDCIF-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride

2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride (PubChem CID 121398834) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride
PubChem CID121398834
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride
SMILESCl.N#CCc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H16N2.ClH/c14-8-5-11-1-3-12(4-2-11)13-6-9-15-10-7-13;/h1-4,13,15H,5-7,9-10H2;1H
InChIKeySZPHBQAJCPDCIF-UHFFFAOYSA-N
XLogP2.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(thian-4-yl)phenyl]acetonitrile
CID 84785647
2-[4-(4-oxocyclohexyl)phenyl]acetonitrile
CID 12945213
(4-piperidin-4-ylphenyl)methanethiol
CID 116988080
[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
2-[4-[4-(3-aminoazetidin-1-yl)cyclohexyl]phenyl]acetonitrile
CID 141283400
2-(2-piperidin-4-ylphenyl)acetonitrile
CID 117289499
2-[6-(4-piperidin-4-ylphenyl)hexyl]benzonitrile
CID 143066608
potassium 4-piperidin-4-ylphenolate
CID 143791971
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
ethane;4-(4-fluorophenyl)piperidine
CID 144692128

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride?
The IUPAC name of 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride (CID 121398834) is 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride is Cl.N#CCc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride?
The InChIKey is SZPHBQAJCPDCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c14-8-5-11-1-3-12(4-2-11)13-6-9-15-10-7-13;/h1-4,13,15H,5-7,9-10H2;1H.
What are the key properties of 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride?
2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride is sourced from PubChem (CID 121398834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).