1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride

C17H21ClN2O2 — CID 119379609

IUPAC1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O2.ClH/c18-14-7-4-10-19(11-14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16;/h1-3,5-6,8-9,14H,4,7,10-12,18H2;1H
InChIKeyGWMWKRRBLDZLSI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride

1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride (PubChem CID 119379609) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
PubChem CID119379609
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O2.ClH/c18-14-7-4-10-19(11-14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16;/h1-3,5-6,8-9,14H,4,7,10-12,18H2;1H
InChIKeyGWMWKRRBLDZLSI-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119487122
(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
CID 73353424
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride (CID 119379609) is 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride is Cl.NC1CCCN(C(=O)COc2cccc3ccccc23)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride?
The InChIKey is GWMWKRRBLDZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c18-14-7-4-10-19(11-14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16;/h1-3,5-6,8-9,14H,4,7,10-12,18H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride is sourced from PubChem (CID 119379609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).