[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C17H26N2O — CID 60796351

IUPAC[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOC1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2O/c1-20-16-7-10-19(11-8-16)17(13-18)9-6-14-4-2-3-5-15(14)12-17/h2-5,16H,6-13,18H2,1H3
InChIKeyXLFGHDNVLXUIGU-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.98
Rot. Bonds3

About [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 60796351) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID60796351
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOC1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2O/c1-20-16-7-10-19(11-8-16)17(13-18)9-6-14-4-2-3-5-15(14)12-17/h2-5,16H,6-13,18H2,1H3
InChIKeyXLFGHDNVLXUIGU-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 60796351) is [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is COC1CCN(C2(CN)CCc3ccccc3C2)CC1.
What is the InChIKey of [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is XLFGHDNVLXUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-16-7-10-19(11-8-16)17(13-18)9-6-14-4-2-3-5-15(14)12-17/h2-5,16H,6-13,18H2,1H3.
What are the key properties of [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 60796351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).