1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol

C15H23BrN2O2 — CID 90017651

IUPAC1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(COc2ccc(Br)cn2)CC1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-14-4-3-13(16)9-17-14/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyYZQIDSVWCUOGGY-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.71
Rot. Bonds5

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

1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 90017651) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID90017651
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(COc2ccc(Br)cn2)CC1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-14-4-3-13(16)9-17-14/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyYZQIDSVWCUOGGY-UHFFFAOYSA-N
XLogP2.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
6-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]hexan-3-ol
CID 141382269
1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
CID 90018634
tert-butyl 4-[(5-bromo-2-pyridinyl)oxymethyl]cyclohexane-1-carboxylate
CID 143824995
tert-butyl (3S)-3-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86334008
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
2-fluoro-4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-3-pyridinyl]benzoic acid
CID 90017607
tert-butyl 2-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 71631757
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
4-[(4-bromophenoxy)methyl]-1-(2,2,3,3,3-pentafluoropropyl)piperidine
CID 118110041
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (CID 90017651) is 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC(COc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is YZQIDSVWCUOGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-14-4-3-13(16)9-17-14/h3-4,9,12,19H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 343.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 90017651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).