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

C14H19BrN2O2 — CID 119372982

IUPAC1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
SMILESNC1CCN(C(=O)CCOc2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-8-5-11(16)6-9-17/h1-4,11H,5-10,16H2
InChIKeyCBXBIXUNGLUSGT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.17
Rot. Bonds4

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

1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one (PubChem CID 119372982) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
PubChem CID119372982
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
SMILESNC1CCN(C(=O)CCOc2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-8-5-11(16)6-9-17/h1-4,11H,5-10,16H2
InChIKeyCBXBIXUNGLUSGT-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119542780
3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119559885
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one
CID 119466311
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one (CID 119372982) is 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one is NC1CCN(C(=O)CCOc2ccccc2Br)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one?
The InChIKey is CBXBIXUNGLUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-8-5-11(16)6-9-17/h1-4,11H,5-10,16H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one has a molecular weight of 327.22 g/mol, XLogP of 2.17, 4 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)-3-(2-bromophenoxy)propan-1-one is sourced from PubChem (CID 119372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).