(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone

C24H25NO2 — CID 19578381

IUPAC(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2cccc(COc3cccc4ccccc34)c2)CC1
InChIInChI=1S/C24H25NO2/c1-18-12-14-25(15-13-18)24(26)21-9-4-6-19(16-21)17-27-23-11-5-8-20-7-2-3-10-22(20)23/h2-11,16,18H,12-15,17H2,1H3
InChIKeyBBWKBSUIOOILEV-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.29
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone

(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone (PubChem CID 19578381) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
PubChem CID19578381
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2cccc(COc3cccc4ccccc34)c2)CC1
InChIInChI=1S/C24H25NO2/c1-18-12-14-25(15-13-18)24(26)21-9-4-6-19(16-21)17-27-23-11-5-8-20-7-2-3-10-22(20)23/h2-11,16,18H,12-15,17H2,1H3
InChIKeyBBWKBSUIOOILEV-UHFFFAOYSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone (CID 19578381) is (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone is CC1CCN(C(=O)c2cccc(COc3cccc4ccccc34)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
The InChIKey is BBWKBSUIOOILEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18-12-14-25(15-13-18)24(26)21-9-4-6-19(16-21)17-27-23-11-5-8-20-7-2-3-10-22(20)23/h2-11,16,18H,12-15,17H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone has a molecular weight of 359.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[3-(naphthalen-1-yloxymethyl)phenyl]methanone is sourced from PubChem (CID 19578381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).