4-phenylpiperidin-1-ium-4-carbonitrile chloride

C12H15ClN2 — CID 43834393

IUPAC4-phenylpiperidin-1-ium-4-carbonitrile chloride
SMILESN#CC1(c2ccccc2)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
InChIKeyCQPHZBOPSZGTJM-UHFFFAOYSA-N
MW222.72 g/mol
LogP-2.19
Rot. Bonds1

About 4-phenylpiperidin-1-ium-4-carbonitrile chloride

4-phenylpiperidin-1-ium-4-carbonitrile chloride (PubChem CID 43834393) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-phenylpiperidin-1-ium-4-carbonitrile chloride.

Molecular Properties

Compound Name4-phenylpiperidin-1-ium-4-carbonitrile chloride
PubChem CID43834393
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-phenylpiperidin-1-ium-4-carbonitrile chloride
SMILESN#CC1(c2ccccc2)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
InChIKeyCQPHZBOPSZGTJM-UHFFFAOYSA-N
XLogP-2.19
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidin-1-ium-4-carbonitrile chloride?
The IUPAC name of 4-phenylpiperidin-1-ium-4-carbonitrile chloride (CID 43834393) is 4-phenylpiperidin-1-ium-4-carbonitrile chloride.
What is the SMILES notation for 4-phenylpiperidin-1-ium-4-carbonitrile chloride?
The canonical SMILES for 4-phenylpiperidin-1-ium-4-carbonitrile chloride is N#CC1(c2ccccc2)CC[NH2+]CC1.[Cl-].
What is the InChIKey of 4-phenylpiperidin-1-ium-4-carbonitrile chloride?
The InChIKey is CQPHZBOPSZGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H.
What are the key properties of 4-phenylpiperidin-1-ium-4-carbonitrile chloride?
4-phenylpiperidin-1-ium-4-carbonitrile chloride has a molecular weight of 222.72 g/mol, XLogP of -2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidin-1-ium-4-carbonitrile chloride is sourced from PubChem (CID 43834393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).