1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one

C14H18BrNO — CID 45141806

IUPAC1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyDNVMLFGJFSQQDE-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one

1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one (PubChem CID 45141806) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one
PubChem CID45141806
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyDNVMLFGJFSQQDE-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one (CID 45141806) is 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one is CC(C(=O)c1cccc(Br)c1)N1CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is DNVMLFGJFSQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one?
1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 296.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 45141806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).