2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile

C17H18N2 — CID 140556482

IUPAC2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C17H18N2/c18-11-8-14-9-12-19(13-10-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14H,8-10,12-13H2
InChIKeyOSSWTVGIUMJBSB-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.97
Rot. Bonds2

About 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile

2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile (PubChem CID 140556482) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile
PubChem CID140556482
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C17H18N2/c18-11-8-14-9-12-19(13-10-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14H,8-10,12-13H2
InChIKeyOSSWTVGIUMJBSB-UHFFFAOYSA-N
XLogP3.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile (CID 140556482) is 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile is N#CCC1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile?
The InChIKey is OSSWTVGIUMJBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-11-8-14-9-12-19(13-10-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14H,8-10,12-13H2.
What are the key properties of 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile?
2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 140556482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).