1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride

C14H19Cl2FN2O2 — CID 119381945

IUPAC1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C14H18ClFN2O2.ClH/c1-9(14(19)18-6-2-3-11(17)8-18)20-13-5-4-10(16)7-12(13)15;/h4-5,7,9,11H,2-3,6,8,17H2,1H3;1H
InChIKeyMEINUQIJSMLTLZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride (PubChem CID 119381945) has the molecular formula C14H19Cl2FN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride
PubChem CID119381945
Molecular FormulaC14H19Cl2FN2O2
Molecular Weight337.22 g/mol
Exact Mass336.08
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C14H18ClFN2O2.ClH/c1-9(14(19)18-6-2-3-11(17)8-18)20-13-5-4-10(16)7-12(13)15;/h4-5,7,9,11H,2-3,6,8,17H2,1H3;1H
InChIKeyMEINUQIJSMLTLZ-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761
(2R)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-fluorophenoxy)propan-1-one
CID 125134538
ethyl 1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylate
CID 86921483
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111562005
2-(2-chloro-4-fluorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023883
2-(2-chloro-4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119564143
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
1-(3-aminopiperidin-1-yl)-2-(4-chloro-2-nitrophenoxy)propan-1-one
CID 119381749
2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119625550
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118284
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride (CID 119381945) is 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride is CC(Oc1ccc(F)cc1Cl)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride?
The InChIKey is MEINUQIJSMLTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2.ClH/c1-9(14(19)18-6-2-3-11(17)8-18)20-13-5-4-10(16)7-12(13)15;/h4-5,7,9,11H,2-3,6,8,17H2,1H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride has a molecular weight of 337.22 g/mol, XLogP of 2.62, 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-(2-chloro-4-fluorophenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119381945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).