1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one

C14H19ClN2O2 — CID 55037082

IUPAC1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-7-5-12(16)6-8-17/h2-4,9-10,12H,5-8,16H2,1H3
InChIKeyVPVZGHFPJCDYFT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one (PubChem CID 55037082) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
PubChem CID55037082
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-7-5-12(16)6-8-17/h2-4,9-10,12H,5-8,16H2,1H3
InChIKeyVPVZGHFPJCDYFT-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.06
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
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 79994536
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115746672
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119464933
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one (CID 55037082) is 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The InChIKey is VPVZGHFPJCDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-7-5-12(16)6-8-17/h2-4,9-10,12H,5-8,16H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one has a molecular weight of 282.77 g/mol, XLogP of 2.06, 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-(3-chlorophenoxy)propan-1-one is sourced from PubChem (CID 55037082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).