2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine

C18H24N2O — CID 102965278

IUPAC2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
SMILESCOC1CCCN(C(CN)c2cccc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-21-15-8-5-11-20(13-15)18(12-19)17-10-4-7-14-6-2-3-9-16(14)17/h2-4,6-7,9-10,15,18H,5,8,11-13,19H2,1H3
InChIKeyQHQRGDBVNYWSGY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine

2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine (PubChem CID 102965278) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
PubChem CID102965278
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
SMILESCOC1CCCN(C(CN)c2cccc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-21-15-8-5-11-20(13-15)18(12-19)17-10-4-7-14-6-2-3-9-16(14)17/h2-4,6-7,9-10,15,18H,5,8,11-13,19H2,1H3
InChIKeyQHQRGDBVNYWSGY-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine
CID 115559288
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965074
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine (CID 102965278) is 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine is COC1CCCN(C(CN)c2cccc3ccccc23)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is QHQRGDBVNYWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-21-15-8-5-11-20(13-15)18(12-19)17-10-4-7-14-6-2-3-9-16(14)17/h2-4,6-7,9-10,15,18H,5,8,11-13,19H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine?
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 284.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 102965278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).