6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol

C17H27BrN2O2 — CID 141382269

IUPAC6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCC(COc2ccc(Br)cn2)CC1
InChIInChI=1S/C17H27BrN2O2/c1-2-16(21)4-3-9-20-10-7-14(8-11-20)13-22-17-6-5-15(18)12-19-17/h5-6,12,14,16,21H,2-4,7-11,13H2,1H3
InChIKeyVZWUQQGGDMUULX-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.49
Rot. Bonds8

About 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol

6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol (PubChem CID 141382269) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol
PubChem CID141382269
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC Name6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCC(COc2ccc(Br)cn2)CC1
InChIInChI=1S/C17H27BrN2O2/c1-2-16(21)4-3-9-20-10-7-14(8-11-20)13-22-17-6-5-15(18)12-19-17/h5-6,12,14,16,21H,2-4,7-11,13H2,1H3
InChIKeyVZWUQQGGDMUULX-UHFFFAOYSA-N
XLogP3.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol?
The IUPAC name of 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol (CID 141382269) is 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol?
The canonical SMILES for 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol is CCC(O)CCCN1CCC(COc2ccc(Br)cn2)CC1.
What is the InChIKey of 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol?
The InChIKey is VZWUQQGGDMUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-2-16(21)4-3-9-20-10-7-14(8-11-20)13-22-17-6-5-15(18)12-19-17/h5-6,12,14,16,21H,2-4,7-11,13H2,1H3.
What are the key properties of 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol?
6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol has a molecular weight of 371.32 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol is sourced from PubChem (CID 141382269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).