1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one

C15H21ClN2O2 — CID 119376206

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
SMILESCc1ccc(Cl)c(OC(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-4-13(16)14(9-10)20-11(2)15(19)18-7-5-12(17)6-8-18/h3-4,9,11-12H,5-8,17H2,1-2H3
InChIKeyLGNZGJVEFOPIFD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one (PubChem CID 119376206) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
PubChem CID119376206
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
SMILESCc1ccc(Cl)c(OC(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-4-13(16)14(9-10)20-11(2)15(19)18-7-5-12(17)6-8-18/h3-4,9,11-12H,5-8,17H2,1-2H3
InChIKeyLGNZGJVEFOPIFD-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one;hydrochloride
CID 120815937
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 124588788
2-[4-[(2R)-2-(2-chloro-5-methylphenoxy)propanoyl]piperazin-1-yl]acetonitrile
CID 95981302
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one;hydrochloride
CID 122148474
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 129468435
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
2-(2-chloro-5-methylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55792514

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one (CID 119376206) is 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one is Cc1ccc(Cl)c(OC(C)C(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The InChIKey is LGNZGJVEFOPIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-3-4-13(16)14(9-10)20-11(2)15(19)18-7-5-12(17)6-8-18/h3-4,9,11-12H,5-8,17H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one is sourced from PubChem (CID 119376206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).