1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

C14H22BrN3O — CID 115609180

IUPAC1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C14H22BrN3O/c1-14(2,19)11-18-5-3-17(4-6-18)10-12-7-13(15)9-16-8-12/h7-9,19H,3-6,10-11H2,1-2H3
InChIKeyFXCNQJUOMZUJFD-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 115609180) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID115609180
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C14H22BrN3O/c1-14(2,19)11-18-5-3-17(4-6-18)10-12-7-13(15)9-16-8-12/h7-9,19H,3-6,10-11H2,1-2H3
InChIKeyFXCNQJUOMZUJFD-UHFFFAOYSA-N
XLogP1.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[4-[(3-amino-5-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 103349981
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102065
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
1-[4-[(2-amino-4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 114380449
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 115609180) is 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(Cc2cncc(Br)c2)CC1.
What is the InChIKey of 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is FXCNQJUOMZUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-14(2,19)11-18-5-3-17(4-6-18)10-12-7-13(15)9-16-8-12/h7-9,19H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 328.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 115609180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).