2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol

C14H20BrNO — CID 71093677

IUPAC2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO/c1-14(2,17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3
InChIKeyFHZBKYSRQDUDAL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.44
Rot. Bonds2

About 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol

2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol (PubChem CID 71093677) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol
PubChem CID71093677
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO/c1-14(2,17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3
InChIKeyFHZBKYSRQDUDAL-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol (CID 71093677) is 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol?
The InChIKey is FHZBKYSRQDUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2,17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol?
2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol has a molecular weight of 298.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 71093677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).