1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one

C14H19BrN2O — CID 115277240

IUPAC1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
SMILESNC1CCCN(C(=O)CCc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-9-3-5-12(16)10-17/h1-2,4,6,12H,3,5,7-10,16H2
InChIKeyJNHINEORDZZQCY-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one

1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one (PubChem CID 115277240) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
PubChem CID115277240
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
SMILESNC1CCCN(C(=O)CCc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-9-3-5-12(16)10-17/h1-2,4,6,12H,3,5,7-10,16H2
InChIKeyJNHINEORDZZQCY-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 124593535
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115276695
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215
3-(2-aminophenyl)-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120611447
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
2-[[(4S)-1-[3-(2-bromophenyl)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399201
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
3-(2-bromophenyl)-1-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119417749
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(2-bromophenyl)propan-1-one
CID 120746341

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one (CID 115277240) is 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one is NC1CCCN(C(=O)CCc2ccccc2Br)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one?
The InChIKey is JNHINEORDZZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-9-3-5-12(16)10-17/h1-2,4,6,12H,3,5,7-10,16H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one?
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one has a molecular weight of 311.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one is sourced from PubChem (CID 115277240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).