4-(1-adamantyl)-1-bromopiperidin-4-ol

C15H24BrNO — CID 22980508

IUPAC4-(1-adamantyl)-1-bromopiperidin-4-ol
SMILESOC1(C23CC4CC(CC(C4)C2)C3)CCN(Br)CC1
InChIInChI=1S/C15H24BrNO/c16-17-3-1-15(18,2-4-17)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,18H,1-10H2
InChIKeyFMRPBIROYRKYFD-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.34
Rot. Bonds1

About 4-(1-adamantyl)-1-bromopiperidin-4-ol

4-(1-adamantyl)-1-bromopiperidin-4-ol (PubChem CID 22980508) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-(1-adamantyl)-1-bromopiperidin-4-ol.

Molecular Properties

Compound Name4-(1-adamantyl)-1-bromopiperidin-4-ol
PubChem CID22980508
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-(1-adamantyl)-1-bromopiperidin-4-ol
SMILESOC1(C23CC4CC(CC(C4)C2)C3)CCN(Br)CC1
InChIInChI=1S/C15H24BrNO/c16-17-3-1-15(18,2-4-17)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,18H,1-10H2
InChIKeyFMRPBIROYRKYFD-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-adamantyl)-1-bromopiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-1-bromopiperidin-4-ol?
The IUPAC name of 4-(1-adamantyl)-1-bromopiperidin-4-ol (CID 22980508) is 4-(1-adamantyl)-1-bromopiperidin-4-ol.
What is the SMILES notation for 4-(1-adamantyl)-1-bromopiperidin-4-ol?
The canonical SMILES for 4-(1-adamantyl)-1-bromopiperidin-4-ol is OC1(C23CC4CC(CC(C4)C2)C3)CCN(Br)CC1.
What is the InChIKey of 4-(1-adamantyl)-1-bromopiperidin-4-ol?
The InChIKey is FMRPBIROYRKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c16-17-3-1-15(18,2-4-17)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,18H,1-10H2.
What are the key properties of 4-(1-adamantyl)-1-bromopiperidin-4-ol?
4-(1-adamantyl)-1-bromopiperidin-4-ol has a molecular weight of 314.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-1-bromopiperidin-4-ol is sourced from PubChem (CID 22980508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).