4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine

C19H35NO4 — CID 153330246

IUPAC4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine
SMILESC=CC(C)(COCCOC)CN1CCC(OC2CC(OC)C2)CC1
InChIInChI=1S/C19H35NO4/c1-5-19(2,15-23-11-10-21-3)14-20-8-6-16(7-9-20)24-18-12-17(13-18)22-4/h5,16-18H,1,6-15H2,2-4H3
InChIKeyRSTZCRZCVRFLBW-UHFFFAOYSA-N
MW341.49 g/mol
LogP2.50
Rot. Bonds11

About 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine

4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine (PubChem CID 153330246) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine.

Molecular Properties

Compound Name4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine
PubChem CID153330246
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine
SMILESC=CC(C)(COCCOC)CN1CCC(OC2CC(OC)C2)CC1
InChIInChI=1S/C19H35NO4/c1-5-19(2,15-23-11-10-21-3)14-20-8-6-16(7-9-20)24-18-12-17(13-18)22-4/h5,16-18H,1,6-15H2,2-4H3
InChIKeyRSTZCRZCVRFLBW-UHFFFAOYSA-N
XLogP2.50
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane
CID 142368331
1-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2,2,3,3-tetramethyl-4-(1-methylazetidin-3-yl)oxybutan-1-one
CID 142365224
1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
CID 163709399
N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine
CID 126654370
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-(2-piperidin-1-ylethyl)piperidine
CID 158335840
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
CID 177319162
butane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-(2,2,4-trimethylhexyl)piperidin-4-yl]oxycyclobutyl]acetamide
CID 142386189

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine?
The IUPAC name of 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine (CID 153330246) is 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine.
What is the SMILES notation for 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine?
The canonical SMILES for 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine is C=CC(C)(COCCOC)CN1CCC(OC2CC(OC)C2)CC1.
What is the InChIKey of 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine?
The InChIKey is RSTZCRZCVRFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-5-19(2,15-23-11-10-21-3)14-20-8-6-16(7-9-20)24-18-12-17(13-18)22-4/h5,16-18H,1,6-15H2,2-4H3.
What are the key properties of 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine?
4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine has a molecular weight of 341.49 g/mol, XLogP of 2.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclobutyl)oxy-1-[2-(2-methoxyethoxymethyl)-2-methylbut-3-enyl]piperidine is sourced from PubChem (CID 153330246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).