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

C17H18N2O — CID 44592200

IUPAC6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
InChIInChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
InChIKeySHJHTXWKDLOBQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds3

About 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile

6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile (PubChem CID 44592200) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
PubChem CID44592200
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
InChIInChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
InChIKeySHJHTXWKDLOBQS-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 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The IUPAC name of 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile (CID 44592200) is 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile is N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1.
What is the InChIKey of 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
The InChIKey is SHJHTXWKDLOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)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 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile?
6-(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 6-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 44592200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).