7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile

C17H18N2O — CID 44592241

IUPAC7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
InChIInChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
InChIKeyZINGRQZUIVEPKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds3

About 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile

7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile (PubChem CID 44592241) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
PubChem CID44592241
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
InChIInChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
InChIKeyZINGRQZUIVEPKX-UHFFFAOYSA-N
XLogP3.09
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The IUPAC name of 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile (CID 44592241) is 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile is N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1.
What is the InChIKey of 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The InChIKey is ZINGRQZUIVEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2.
What are the key properties of 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 44592241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).