1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride

C13H19ClN2O2 — CID 119377679

IUPAC1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C13H18N2O2.ClH/c14-11-5-4-8-15(9-11)13(16)10-17-12-6-2-1-3-7-12;/h1-3,6-7,11H,4-5,8-10,14H2;1H
InChIKeyIQOSIQYBSHWNEP-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.44
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride

1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride (PubChem CID 119377679) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
PubChem CID119377679
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C13H18N2O2.ClH/c14-11-5-4-8-15(9-11)13(16)10-17-12-6-2-1-3-7-12;/h1-3,6-7,11H,4-5,8-10,14H2;1H
InChIKeyIQOSIQYBSHWNEP-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride (CID 119377679) is 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride is Cl.NC1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride?
The InChIKey is IQOSIQYBSHWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c14-11-5-4-8-15(9-11)13(16)10-17-12-6-2-1-3-7-12;/h1-3,6-7,11H,4-5,8-10,14H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.44, 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-phenoxyethanone;hydrochloride is sourced from PubChem (CID 119377679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).