1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine

C19H37N3O2 — CID 171430232

IUPAC1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine
SMILESCC(C)(C)OC1CC(OC2CCN(CCN3CCNCC3)CC2)C1
InChIInChI=1S/C19H37N3O2/c1-19(2,3)24-18-14-17(15-18)23-16-4-8-21(9-5-16)12-13-22-10-6-20-7-11-22/h16-18,20H,4-15H2,1-3H3
InChIKeyTWHONROSPODQKH-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine

1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine (PubChem CID 171430232) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine
PubChem CID171430232
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine
SMILESCC(C)(C)OC1CC(OC2CCN(CCN3CCNCC3)CC2)C1
InChIInChI=1S/C19H37N3O2/c1-19(2,3)24-18-14-17(15-18)23-16-4-8-21(9-5-16)12-13-22-10-6-20-7-11-22/h16-18,20H,4-15H2,1-3H3
InChIKeyTWHONROSPODQKH-UHFFFAOYSA-N
XLogP1.72
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine (CID 171430232) is 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine is CC(C)(C)OC1CC(OC2CCN(CCN3CCNCC3)CC2)C1.
What is the InChIKey of 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine?
The InChIKey is TWHONROSPODQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-19(2,3)24-18-14-17(15-18)23-16-4-8-21(9-5-16)12-13-22-10-6-20-7-11-22/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine?
1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine has a molecular weight of 339.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine is sourced from PubChem (CID 171430232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).