1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide

C13H17BrClNO — CID 15944740

IUPAC1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide
SMILESBr.O=C(CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO.BrH/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15;/h2-3,6-7H,1,4-5,8-10H2;1H
InChIKeyAJPMNBSSCJVTER-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide

1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide (PubChem CID 15944740) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide
PubChem CID15944740
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide
SMILESBr.O=C(CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO.BrH/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15;/h2-3,6-7H,1,4-5,8-10H2;1H
InChIKeyAJPMNBSSCJVTER-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide?
The IUPAC name of 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide (CID 15944740) is 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide.
What is the SMILES notation for 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide?
The canonical SMILES for 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide is Br.O=C(CN1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide?
The InChIKey is AJPMNBSSCJVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO.BrH/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15;/h2-3,6-7H,1,4-5,8-10H2;1H.
What are the key properties of 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide?
1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide has a molecular weight of 318.64 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-piperidin-1-ylethanone;hydrobromide is sourced from PubChem (CID 15944740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).