4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride

C16H17ClN2 — CID 67559449

IUPAC4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc3ccccc3c2)CCNCC1
InChIInChI=1S/C16H16N2.ClH/c17-12-16(7-9-18-10-8-16)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,18H,7-10H2;1H
InChIKeyPRCRNQCYFGJYQF-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.41
Rot. Bonds1

About 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride

4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 67559449) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
PubChem CID67559449
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc3ccccc3c2)CCNCC1
InChIInChI=1S/C16H16N2.ClH/c17-12-16(7-9-18-10-8-16)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,18H,7-10H2;1H
InChIKeyPRCRNQCYFGJYQF-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride (CID 67559449) is 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(c2ccc3ccccc3c2)CCNCC1.
What is the InChIKey of 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is PRCRNQCYFGJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.ClH/c17-12-16(7-9-18-10-8-16)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,18H,7-10H2;1H.
What are the key properties of 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67559449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).