tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate

C17H32N2O4 — CID 176576765

IUPACtert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOCN1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(20)19-11-7-15(8-12-19)22-14-5-9-18(10-6-14)13-21-4/h14-15H,5-13H2,1-4H3
InChIKeyBEFQJQVUSPUCIR-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 176576765) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID176576765
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOCN1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(20)19-11-7-15(8-12-19)22-14-5-9-18(10-6-14)13-21-4/h14-15H,5-13H2,1-4H3
InChIKeyBEFQJQVUSPUCIR-UHFFFAOYSA-N
XLogP2.47
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[1-(methoxymethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761030
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxypiperidine-1-carboxylate
CID 155783145
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate (CID 176576765) is tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate is COCN1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is BEFQJQVUSPUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,3)23-16(20)19-11-7-15(8-12-19)22-14-5-9-18(10-6-14)13-21-4/h14-15H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 176576765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).