2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide

C18H26BrNO — CID 2838445

IUPAC2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide
SMILESBr.C#CC(C)(C)N1CC(C)C(O)(c2ccccc2)CC1C
InChIInChI=1S/C18H25NO.BrH/c1-6-17(4,5)19-13-14(2)18(20,12-15(19)3)16-10-8-7-9-11-16;/h1,7-11,14-15,20H,12-13H2,2-5H3;1H
InChIKeySALFDHWYOXCADN-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.59
Rot. Bonds2

About 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide

2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide (PubChem CID 2838445) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide
PubChem CID2838445
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide
SMILESBr.C#CC(C)(C)N1CC(C)C(O)(c2ccccc2)CC1C
InChIInChI=1S/C18H25NO.BrH/c1-6-17(4,5)19-13-14(2)18(20,12-15(19)3)16-10-8-7-9-11-16;/h1,7-11,14-15,20H,12-13H2,2-5H3;1H
InChIKeySALFDHWYOXCADN-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide?
The IUPAC name of 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide (CID 2838445) is 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide?
The canonical SMILES for 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide is Br.C#CC(C)(C)N1CC(C)C(O)(c2ccccc2)CC1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide?
The InChIKey is SALFDHWYOXCADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO.BrH/c1-6-17(4,5)19-13-14(2)18(20,12-15(19)3)16-10-8-7-9-11-16;/h1,7-11,14-15,20H,12-13H2,2-5H3;1H.
What are the key properties of 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide?
2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide has a molecular weight of 352.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol;hydrobromide is sourced from PubChem (CID 2838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).