5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol

C19H38N2O3 — CID 164735629

IUPAC5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol
SMILESCC(C)(C)OC1CC(OCCN2CCN(CCCCCO)CC2)C1
InChIInChI=1S/C19H38N2O3/c1-19(2,3)24-18-15-17(16-18)23-14-12-21-10-8-20(9-11-21)7-5-4-6-13-22/h17-18,22H,4-16H2,1-3H3
InChIKeyIQGOHCGPAIUUJW-UHFFFAOYSA-N
MW342.52 g/mol
LogP2.13
Rot. Bonds10

About 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol

5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol (PubChem CID 164735629) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol
PubChem CID164735629
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol
SMILESCC(C)(C)OC1CC(OCCN2CCN(CCCCCO)CC2)C1
InChIInChI=1S/C19H38N2O3/c1-19(2,3)24-18-15-17(16-18)23-14-12-21-10-8-20(9-11-21)7-5-4-6-13-22/h17-18,22H,4-16H2,1-3H3
InChIKeyIQGOHCGPAIUUJW-UHFFFAOYSA-N
XLogP2.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
tert-butyl 4-[4-(5-hydroxypentyl)piperazin-1-yl]-4-oxobutanoate
CID 126836827
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
ethane;1-[2-(3-methoxycyclobutyl)oxyethyl]-4-methylpiperazine
CID 155583779
3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol
CID 141044637
2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
CID 168901752
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxyethyl]piperazine-1-carboxylic acid
CID 138695041
1-(2-ethoxyethyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567381

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol (CID 164735629) is 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol is CC(C)(C)OC1CC(OCCN2CCN(CCCCCO)CC2)C1.
What is the InChIKey of 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol?
The InChIKey is IQGOHCGPAIUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-19(2,3)24-18-15-17(16-18)23-14-12-21-10-8-20(9-11-21)7-5-4-6-13-22/h17-18,22H,4-16H2,1-3H3.
What are the key properties of 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol?
5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol has a molecular weight of 342.52 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 164735629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).