1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine

C18H35N3O — CID 146595799

IUPAC1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine
SMILESCC(C)N1CCCC(CC(C)N2CCN(C3COC3)CC2)C1
InChIInChI=1S/C18H35N3O/c1-15(2)21-6-4-5-17(12-21)11-16(3)19-7-9-20(10-8-19)18-13-22-14-18/h15-18H,4-14H2,1-3H3
InChIKeyALSLQPQBFZETJF-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.90
Rot. Bonds5

About 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine

1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine (PubChem CID 146595799) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine
PubChem CID146595799
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine
SMILESCC(C)N1CCCC(CC(C)N2CCN(C3COC3)CC2)C1
InChIInChI=1S/C18H35N3O/c1-15(2)21-6-4-5-17(12-21)11-16(3)19-7-9-20(10-8-19)18-13-22-14-18/h15-18H,4-14H2,1-3H3
InChIKeyALSLQPQBFZETJF-UHFFFAOYSA-N
XLogP1.90
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine?
The IUPAC name of 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine (CID 146595799) is 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine is CC(C)N1CCCC(CC(C)N2CCN(C3COC3)CC2)C1.
What is the InChIKey of 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine?
The InChIKey is ALSLQPQBFZETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-15(2)21-6-4-5-17(12-21)11-16(3)19-7-9-20(10-8-19)18-13-22-14-18/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine?
1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine has a molecular weight of 309.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine is sourced from PubChem (CID 146595799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).