naphthalen-2-yl(piperidin-1-yl)methanone

C16H17NO — CID 593461

IUPACnaphthalen-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C16H17NO/c18-16(17-10-4-1-5-11-17)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyHCVWWOHTZDKWLC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.47
Rot. Bonds1

About naphthalen-2-yl(piperidin-1-yl)methanone

naphthalen-2-yl(piperidin-1-yl)methanone (PubChem CID 593461) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is naphthalen-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(piperidin-1-yl)methanone
PubChem CID593461
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Namenaphthalen-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C16H17NO/c18-16(17-10-4-1-5-11-17)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyHCVWWOHTZDKWLC-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(piperidin-1-yl)methanone?
The IUPAC name of naphthalen-2-yl(piperidin-1-yl)methanone (CID 593461) is naphthalen-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for naphthalen-2-yl(piperidin-1-yl)methanone is O=C(c1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of naphthalen-2-yl(piperidin-1-yl)methanone?
The InChIKey is HCVWWOHTZDKWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(17-10-4-1-5-11-17)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of naphthalen-2-yl(piperidin-1-yl)methanone?
naphthalen-2-yl(piperidin-1-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).