(4-bromopiperidin-1-yl)-phenylmethanone

C12H14BrNO — CID 15615417

IUPAC(4-bromopiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Br)CC1
InChIInChI=1S/C12H14BrNO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIBWOBPCKANNSAF-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.69
Rot. Bonds1

About (4-bromopiperidin-1-yl)-phenylmethanone

(4-bromopiperidin-1-yl)-phenylmethanone (PubChem CID 15615417) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-phenylmethanone
PubChem CID15615417
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(4-bromopiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Br)CC1
InChIInChI=1S/C12H14BrNO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIBWOBPCKANNSAF-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-phenylmethanone?
The IUPAC name of (4-bromopiperidin-1-yl)-phenylmethanone (CID 15615417) is (4-bromopiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-phenylmethanone?
The InChIKey is IBWOBPCKANNSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of (4-bromopiperidin-1-yl)-phenylmethanone?
(4-bromopiperidin-1-yl)-phenylmethanone has a molecular weight of 268.15 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 15615417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).