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

C17H19ClN2 — CID 11266170

IUPAC1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCN1CCC(C#N)(c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16;/h2-7,12H,8-11H2,1H3;1H
InChIKeyBGOHVVNAGKBHOC-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.75
Rot. Bonds1

About 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride

1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 11266170) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
PubChem CID11266170
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCN1CCC(C#N)(c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16;/h2-7,12H,8-11H2,1H3;1H
InChIKeyBGOHVVNAGKBHOC-UHFFFAOYSA-N
XLogP3.75
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride (CID 11266170) is 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride is CN1CCC(C#N)(c2ccc3ccccc3c2)CC1.Cl.
What is the InChIKey of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is BGOHVVNAGKBHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16;/h2-7,12H,8-11H2,1H3;1H.
What are the key properties of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride?
1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 11266170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).