tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine

C14H29NO4 — CID 174520004

IUPACtert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
SMILESCC(C)(C)OC=O.COCCOCC1CCCNC1
InChIInChI=1S/C9H19NO2.C5H10O2/c1-11-5-6-12-8-9-3-2-4-10-7-9;1-5(2,3)7-4-6/h9-10H,2-8H2,1H3;4H,1-3H3
InChIKeyLAOMOHAGXPGJIK-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.61
Rot. Bonds6

About tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine

tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine (PubChem CID 174520004) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine.

Molecular Properties

Compound Nametert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
PubChem CID174520004
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nametert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
SMILESCC(C)(C)OC=O.COCCOCC1CCCNC1
InChIInChI=1S/C9H19NO2.C5H10O2/c1-11-5-6-12-8-9-3-2-4-10-7-9;1-5(2,3)7-4-6/h9-10H,2-8H2,1H3;4H,1-3H3
InChIKeyLAOMOHAGXPGJIK-UHFFFAOYSA-N
XLogP1.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
CID 174631529
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
CID 65253359
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
tert-butyl formate;piperidine-3-carbonitrile
CID 174775296
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277
N-(2-methoxyethyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62690898
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine?
The IUPAC name of tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine (CID 174520004) is tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine.
What is the SMILES notation for tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine?
The canonical SMILES for tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine is CC(C)(C)OC=O.COCCOCC1CCCNC1.
What is the InChIKey of tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine?
The InChIKey is LAOMOHAGXPGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C5H10O2/c1-11-5-6-12-8-9-3-2-4-10-7-9;1-5(2,3)7-4-6/h9-10H,2-8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine?
tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine has a molecular weight of 275.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine is sourced from PubChem (CID 174520004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).