3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

C15H21BrN2O — CID 119492298

IUPAC3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3
InChIKeyZLVLJQMCTVIINI-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.59
Rot. Bonds4

About 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119492298) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119492298
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3
InChIKeyZLVLJQMCTVIINI-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
3-[4-(difluoromethoxy)phenyl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119491882
2-[(4-bromophenyl)methylsulfonyl]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119492699
1-[3-(methylamino)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 119489331
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
5-(4-bromophenoxy)-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119488002
3-(4-bromothiophen-2-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493881
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-(4-bromophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119541459
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 119492298) is 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(=O)CCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ZLVLJQMCTVIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 325.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119492298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).