(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone

C13H22BrNO — CID 107183919

IUPAC(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C13H22BrNO/c1-13(2)7-3-4-11(13)12(16)15-8-5-10(14)6-9-15/h10-11H,3-9H2,1-2H3
InChIKeyCTACCHJBABDWDP-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.20
Rot. Bonds1

About (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone

(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107183919) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107183919
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C13H22BrNO/c1-13(2)7-3-4-11(13)12(16)15-8-5-10(14)6-9-15/h10-11H,3-9H2,1-2H3
InChIKeyCTACCHJBABDWDP-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.20
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)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107183919) is (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is CTACCHJBABDWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-13(2)7-3-4-11(13)12(16)15-8-5-10(14)6-9-15/h10-11H,3-9H2,1-2H3.
What are the key properties of (4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone?
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 288.23 g/mol, XLogP of 3.20, 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)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107183919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).