4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol

C13H18BrNO — CID 60893357

IUPAC4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c1-15-8-6-13(16,7-9-15)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyIGUVAHWFEIGPOL-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.45
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol

4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 60893357) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID60893357
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c1-15-8-6-13(16,7-9-15)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyIGUVAHWFEIGPOL-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol (CID 60893357) is 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is IGUVAHWFEIGPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15-8-6-13(16,7-9-15)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol?
4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 284.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 60893357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).