tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate

C19H34N2O3 — CID 86608801

IUPACtert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C19H34N2O3/c1-19(2,3)24-18(22)21-13-9-17(10-14-21)23-16-7-11-20(12-8-16)15-5-4-6-15/h15-17H,4-14H2,1-3H3
InChIKeySHOHMTMCXNMYIY-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 86608801) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID86608801
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Nametert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C19H34N2O3/c1-19(2,3)24-18(22)21-13-9-17(10-14-21)23-16-7-11-20(12-8-16)15-5-4-6-15/h15-17H,4-14H2,1-3H3
InChIKeySHOHMTMCXNMYIY-UHFFFAOYSA-N
XLogP3.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 176576765
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
tert-butyl 4-[(1-cyclohexylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 166459229
tert-butyl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 123477221

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate (CID 86608801) is tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is SHOHMTMCXNMYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-19(2,3)24-18(22)21-13-9-17(10-14-21)23-16-7-11-20(12-8-16)15-5-4-6-15/h15-17H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 86608801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).