1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine

C14H20BrN3O — CID 124842283

IUPAC1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
SMILESBrc1cccnc1N1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C14H20BrN3O/c15-13-2-1-4-16-14(13)18-7-5-17(6-8-18)10-12-3-9-19-11-12/h1-2,4,12H,3,5-11H2/t12-/m1/s1
InChIKeyBZCVYYIXYQGITQ-GFCCVEGCSA-N
MW326.24 g/mol
LogP2.00
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine

1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine (PubChem CID 124842283) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
PubChem CID124842283
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
SMILESBrc1cccnc1N1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C14H20BrN3O/c15-13-2-1-4-16-14(13)18-7-5-17(6-8-18)10-12-3-9-19-11-12/h1-2,4,12H,3,5-11H2/t12-/m1/s1
InChIKeyBZCVYYIXYQGITQ-GFCCVEGCSA-N
XLogP2.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-nitro-2-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine
CID 133335956
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
7-bromo-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinoline
CID 133336011
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 55116545
3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
CID 80679963
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine (CID 124842283) is 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine is Brc1cccnc1N1CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
The InChIKey is BZCVYYIXYQGITQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-13-2-1-4-16-14(13)18-7-5-17(6-8-18)10-12-3-9-19-11-12/h1-2,4,12H,3,5-11H2/t12-/m1/s1.
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine?
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine has a molecular weight of 326.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 124842283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).