1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine

C22H43N3O2 — CID 153436977

IUPAC1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
SMILESCC(C)(C)OC1CC(OC2CCN(CN3CCN(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C22H43N3O2/c1-21(2,3)25-13-11-24(12-14-25)17-23-9-7-18(8-10-23)26-19-15-20(16-19)27-22(4,5)6/h18-20H,7-17H2,1-6H3
InChIKeyGPRQXHMIWWHEPR-UHFFFAOYSA-N
MW381.61 g/mol
LogP3.19
Rot. Bonds5

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

1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine (PubChem CID 153436977) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
PubChem CID153436977
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC Name1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
SMILESCC(C)(C)OC1CC(OC2CCN(CN3CCN(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C22H43N3O2/c1-21(2,3)25-13-11-24(12-14-25)17-23-9-7-18(8-10-23)26-19-15-20(16-19)27-22(4,5)6/h18-20H,7-17H2,1-6H3
InChIKeyGPRQXHMIWWHEPR-UHFFFAOYSA-N
XLogP3.19
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine with MolForge

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Related Compounds

4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-(2-piperidin-1-ylethyl)piperidine
CID 158335840
1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
CID 146549005
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
CID 153320478
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
CID 134488993
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
CID 140908004
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733
1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine
CID 154957378
3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841896
N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine
CID 146179275

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine (CID 153436977) is 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine is CC(C)(C)OC1CC(OC2CCN(CN3CCN(C(C)(C)C)CC3)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine?
The InChIKey is GPRQXHMIWWHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O2/c1-21(2,3)25-13-11-24(12-14-25)17-23-9-7-18(8-10-23)26-19-15-20(16-19)27-22(4,5)6/h18-20H,7-17H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine?
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine has a molecular weight of 381.61 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine is sourced from PubChem (CID 153436977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).