(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone

C18H21NO — CID 24686521

IUPAC(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H21NO/c1-13-9-14(2)12-19(11-13)18(20)17-8-7-15-5-3-4-6-16(15)10-17/h3-8,10,13-14H,9,11-12H2,1-2H3
InChIKeySOVOUOQQYLXVNS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.96
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone

(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 24686521) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone
PubChem CID24686521
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H21NO/c1-13-9-14(2)12-19(11-13)18(20)17-8-7-15-5-3-4-6-16(15)10-17/h3-8,10,13-14H,9,11-12H2,1-2H3
InChIKeySOVOUOQQYLXVNS-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone (CID 24686521) is (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone is CC1CC(C)CN(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is SOVOUOQQYLXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-14(2)12-19(11-13)18(20)17-8-7-15-5-3-4-6-16(15)10-17/h3-8,10,13-14H,9,11-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone?
(3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 267.37 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 24686521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).