1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one

C15H21ClN2O2 — CID 79994536

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESCC1CC(N)CN(C(=O)C(C)Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-6-13(17)9-18(8-10)15(19)11(2)20-14-5-3-4-12(16)7-14/h3-5,7,10-11,13H,6,8-9,17H2,1-2H3
InChIKeyOKELBAALUQYFDJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one

1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one (PubChem CID 79994536) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
PubChem CID79994536
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESCC1CC(N)CN(C(=O)C(C)Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-6-13(17)9-18(8-10)15(19)11(2)20-14-5-3-4-12(16)7-14/h3-5,7,10-11,13H,6,8-9,17H2,1-2H3
InChIKeyOKELBAALUQYFDJ-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662
2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 133164884
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119464933
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115746672
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one
CID 63395750
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one (CID 79994536) is 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one is CC1CC(N)CN(C(=O)C(C)Oc2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The InChIKey is OKELBAALUQYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-6-13(17)9-18(8-10)15(19)11(2)20-14-5-3-4-12(16)7-14/h3-5,7,10-11,13H,6,8-9,17H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one is sourced from PubChem (CID 79994536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).