(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone

C15H20BrNO — CID 112734433

IUPAC(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(10-12)15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyDLPAHMLTHFXDIK-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.10
Rot. Bonds2

About (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone

(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone (PubChem CID 112734433) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
PubChem CID112734433
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(10-12)15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyDLPAHMLTHFXDIK-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone (CID 112734433) is (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone is CCC1CCC(C)N(C(=O)c2ccccc2Br)C1.
What is the InChIKey of (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The InChIKey is DLPAHMLTHFXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(10-12)15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone has a molecular weight of 310.23 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112734433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).