1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine

C13H19N3O — CID 87852437

IUPAC1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCC1(CN2CCN(c3ccccn3)CC2)CO1
InChIInChI=1S/C13H19N3O/c1-13(11-17-13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5H,6-11H2,1H3
InChIKeyIFYHKVDGCAILJV-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.99
Rot. Bonds3

About 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 87852437) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID87852437
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCC1(CN2CCN(c3ccccn3)CC2)CO1
InChIInChI=1S/C13H19N3O/c1-13(11-17-13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5H,6-11H2,1H3
InChIKeyIFYHKVDGCAILJV-UHFFFAOYSA-N
XLogP0.99
TPSA31.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263035
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
methyl 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylate
CID 167913462
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
1-pyridin-2-yl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CID 11143376
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 764380
1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271935
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 87852437) is 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine is CC1(CN2CCN(c3ccccn3)CC2)CO1.
What is the InChIKey of 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is IFYHKVDGCAILJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(11-17-13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5H,6-11H2,1H3.
What are the key properties of 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 233.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 87852437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).