tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane

C16H33NO3 — CID 155573661

IUPACtert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
SMILESCCC.COC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO3.C3H8/c1-10(16-5)11-6-8-14(9-7-11)12(15)17-13(2,3)4;1-3-2/h10-11H,6-9H2,1-5H3;3H2,1-2H3
InChIKeyJFFXVFMELBWVIW-UHFFFAOYSA-N
MW287.44 g/mol
LogP4.08
Rot. Bonds2

About tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane

tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane (PubChem CID 155573661) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane.

Molecular Properties

Compound Nametert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
PubChem CID155573661
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Nametert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
SMILESCCC.COC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO3.C3H8/c1-10(16-5)11-6-8-14(9-7-11)12(15)17-13(2,3)4;1-3-2/h10-11H,6-9H2,1-5H3;3H2,1-2H3
InChIKeyJFFXVFMELBWVIW-UHFFFAOYSA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid
CID 142458363
tert-butyl 4-(1-methylsulfonyloxyethyl)piperidine-1-carboxylate
CID 23282886
tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170993452
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane?
The IUPAC name of tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane (CID 155573661) is tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane.
What is the SMILES notation for tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane?
The canonical SMILES for tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane is CCC.COC(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane?
The InChIKey is JFFXVFMELBWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.C3H8/c1-10(16-5)11-6-8-14(9-7-11)12(15)17-13(2,3)4;1-3-2/h10-11H,6-9H2,1-5H3;3H2,1-2H3.
What are the key properties of tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane?
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane has a molecular weight of 287.44 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane is sourced from PubChem (CID 155573661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).