tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine

C18H35N3O3 — CID 166077982

IUPACtert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine
SMILESC1CNCCN1.CC(C)(C)OC(=O)N1CCC(OC2CCC2)CC1
InChIInChI=1S/C14H25NO3.C4H10N2/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)17-11-5-4-6-11;1-2-6-4-3-5-1/h11-12H,4-10H2,1-3H3;5-6H,1-4H2
InChIKeyMCBFWEKUWMHVMH-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine

tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine (PubChem CID 166077982) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine.

Molecular Properties

Compound Nametert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine
PubChem CID166077982
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine
SMILESC1CNCCN1.CC(C)(C)OC(=O)N1CCC(OC2CCC2)CC1
InChIInChI=1S/C14H25NO3.C4H10N2/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)17-11-5-4-6-11;1-2-6-4-3-5-1/h11-12H,4-10H2,1-3H3;5-6H,1-4H2
InChIKeyMCBFWEKUWMHVMH-UHFFFAOYSA-N
XLogP2.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperidin-4-yloxy)-piperidine-1-carboxylic acid t-butyl ester
CID 53407862
Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711
Tert-butyl 3-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 165835087
Tert-butyl 4-(piperidin-3-yloxy)piperidine-1-carboxylate
CID 59506099
tert-butyl (3R,4R)-3-fluoro-4-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 156187219
Tert-butyl 4-propoxypiperidine-1-carboxylate;piperidine
CID 21989989
4-(Piperidin-4-ylmethoxy)piperidine-1-carboxylic acid tert-butyl ester
CID 58808171
Tert-butyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
CID 61637832
tert-butyl N-[1-(oxan-4-yl)piperidin-3-yl]carbamate
CID 67126492
(S)-tert-butyl 1-(tetrahydro-2H-pyran-4-yl)piperidin-3-ylcarbamate
CID 67126493
tert-butyl N-(oxan-4-yl)-N-piperidin-3-ylcarbamate
CID 67192253
tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate
CID 67192254

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine?
The IUPAC name of tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine (CID 166077982) is tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine.
What is the SMILES notation for tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine?
The canonical SMILES for tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine is C1CNCCN1.CC(C)(C)OC(=O)N1CCC(OC2CCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine?
The InChIKey is MCBFWEKUWMHVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3.C4H10N2/c1-14(2,3)18-13(16)15-9-7-12(8-10-15)17-11-5-4-6-11;1-2-6-4-3-5-1/h11-12H,4-10H2,1-3H3;5-6H,1-4H2.
What are the key properties of tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine?
tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine has a molecular weight of 341.50 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclobutyloxypiperidine-1-carboxylate;piperazine is sourced from PubChem (CID 166077982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).