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

C17H18N2 — CID 11230457

IUPAC1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H18N2/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
InChIKeyBMDGJYAVKVPSJT-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.33
Rot. Bonds1

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

1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile (PubChem CID 11230457) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile
PubChem CID11230457
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H18N2/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
InChIKeyBMDGJYAVKVPSJT-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.33
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?
The IUPAC name of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile (CID 11230457) is 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile is CN1CCC(C#N)(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile?
The InChIKey is BMDGJYAVKVPSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/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.
What are the key properties of 1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile?
1-methyl-4-naphthalen-2-ylpiperidine-4-carbonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.33, 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 is sourced from PubChem (CID 11230457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).