(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone

C17H19NO — CID 883764

IUPAC(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
SMILESCC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H19NO/c1-13-8-10-18(11-9-13)17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
InChIKeyGNYIWGXSJRWLNH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.71
Rot. Bonds1

About (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone

(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 883764) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
PubChem CID883764
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
SMILESCC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H19NO/c1-13-8-10-18(11-9-13)17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
InChIKeyGNYIWGXSJRWLNH-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone (CID 883764) is (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone is CC1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is GNYIWGXSJRWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-10-18(11-9-13)17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone?
(4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 253.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 883764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).