tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate

C18H36N2O3 — CID 103766005

IUPACtert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(C)(C)CC(C)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-14(12-18(5,6)22-7)19-13-15-8-10-20(11-9-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3
InChIKeyAHKZUJOHELVPFY-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.43
Rot. Bonds6

About tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103766005) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID103766005
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(C)(C)CC(C)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-14(12-18(5,6)22-7)19-13-15-8-10-20(11-9-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3
InChIKeyAHKZUJOHELVPFY-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103700546
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]piperidine-1-carboxylate
CID 79699897
tert-butyl 4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 18352986
tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103271084
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 3-[[(3-methoxy-3-methylbutyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242498
tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103765978

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate (CID 103766005) is tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate is COC(C)(C)CC(C)NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is AHKZUJOHELVPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-14(12-18(5,6)22-7)19-13-15-8-10-20(11-9-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103766005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).