4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine

C23H41NO3 — CID 134488993

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
SMILESCC(C)(C)OCC#CCCCN1CCC(OC2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C23H41NO3/c1-22(2,3)25-16-10-8-7-9-13-24-14-11-19(12-15-24)26-20-17-21(18-20)27-23(4,5)6/h19-21H,7,9,11-18H2,1-6H3
InChIKeyQMYRHUSCTVZCRH-UHFFFAOYSA-N
MW379.59 g/mol
LogP4.41
Rot. Bonds7

About 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine

4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine (PubChem CID 134488993) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
PubChem CID134488993
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
SMILESCC(C)(C)OCC#CCCCN1CCC(OC2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C23H41NO3/c1-22(2,3)25-16-10-8-7-9-13-24-14-11-19(12-15-24)26-20-17-21(18-20)27-23(4,5)6/h19-21H,7,9,11-18H2,1-6H3
InChIKeyQMYRHUSCTVZCRH-UHFFFAOYSA-N
XLogP4.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine (CID 134488993) is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine is CC(C)(C)OCC#CCCCN1CCC(OC2CC(OC(C)(C)C)C2)CC1.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine?
The InChIKey is QMYRHUSCTVZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3/c1-22(2,3)25-16-10-8-7-9-13-24-14-11-19(12-15-24)26-20-17-21(18-20)27-23(4,5)6/h19-21H,7,9,11-18H2,1-6H3.
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine?
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine has a molecular weight of 379.59 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine is sourced from PubChem (CID 134488993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).