1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one

C18H25NO — CID 3047788

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IUPAC1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one
SMILESCC1(CCN2CCCCC2)C(=O)CCc2ccccc21
InChIInChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyRVXGRCNWGOHSDE-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one

1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one (PubChem CID 3047788) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one
PubChem CID3047788
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one
SMILESCC1(CCN2CCCCC2)C(=O)CCc2ccccc21
InChIInChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyRVXGRCNWGOHSDE-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one (CID 3047788) is 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one is CC1(CCN2CCCCC2)C(=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one?
The InChIKey is RVXGRCNWGOHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3.
What are the key properties of 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one?
1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 3047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).