tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine

C22H44N2O4 — CID 157329417

IUPACtert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine
SMILESCC(C)(C)OC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)OC1CCNCC1
InChIInChI=1S/C14H27NO3.C8H17NO/c1-13(2,3)17-11-7-9-15(10-8-11)12(16)18-14(4,5)6;1-7(2)10-8-3-5-9-6-4-8/h11H,7-10H2,1-6H3;7-9H,3-6H2,1-2H3
InChIKeyBFCNPCKIIGSWAB-UHFFFAOYSA-N
MW400.60 g/mol
LogP4.36
Rot. Bonds3

About tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine

tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine (PubChem CID 157329417) has the molecular formula C22H44N2O4 and a molecular weight of 400.60 g/mol. Its IUPAC name is tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine.

Molecular Properties

Compound Nametert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine
PubChem CID157329417
Molecular FormulaC22H44N2O4
Molecular Weight400.60 g/mol
Exact Mass400.33
IUPAC Nametert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine
SMILESCC(C)(C)OC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)OC1CCNCC1
InChIInChI=1S/C14H27NO3.C8H17NO/c1-13(2,3)17-11-7-9-15(10-8-11)12(16)18-14(4,5)6;1-7(2)10-8-3-5-9-6-4-8/h11H,7-10H2,1-6H3;7-9H,3-6H2,1-2H3
InChIKeyBFCNPCKIIGSWAB-UHFFFAOYSA-N
XLogP4.36
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine with MolForge

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Related Compounds

4-(Piperidin-4-yloxy)-piperidine-1-carboxylic acid t-butyl ester
CID 53407862
tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
CID 72108010
Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711
Tert-butyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 25219681
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 53302318
tert-Butyl 1-oxa-4,9-diazaspiro(5.5)undecane-4-carboxylate
CID 53439217
1,1-Dimethylethyl 4-(2-aminoethoxy)-1-piperidinecarboxylate
CID 53900805
Tert-butyl 3-[2-(piperidin-4-yloxy)ethyl]piperidine-1-carboxylate
CID 165673908
Tert-butyl 3-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 165835087
Tert-butyl 4-(piperidin-3-yloxy)piperidine-1-carboxylate
CID 59506099
Tert-butyl 4-{[1-(1-methylethyl)-4-piperidinyl]oxy}-1-piperidinecarboxylate
CID 91258385
tert-butyl (3R,4R)-3-fluoro-4-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 156187219

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine?
The IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine (CID 157329417) is tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine.
What is the SMILES notation for tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine?
The canonical SMILES for tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine is CC(C)(C)OC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)OC1CCNCC1.
What is the InChIKey of tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine?
The InChIKey is BFCNPCKIIGSWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C8H17NO/c1-13(2,3)17-11-7-9-15(10-8-11)12(16)18-14(4,5)6;1-7(2)10-8-3-5-9-6-4-8/h11H,7-10H2,1-6H3;7-9H,3-6H2,1-2H3.
What are the key properties of tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine?
tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine has a molecular weight of 400.60 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboxylate;4-propan-2-yloxypiperidine is sourced from PubChem (CID 157329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).