tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate

C18H36N2O2 — CID 104530876

IUPACtert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)CC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14(2)11-15(3)19-12-18(7)9-8-10-20(13-18)16(21)22-17(4,5)6/h14-15,19H,8-13H2,1-7H3
InChIKeyJQGAHMHZPGJJIV-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 104530876) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID104530876
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)CC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14(2)11-15(3)19-12-18(7)9-8-10-20(13-18)16(21)22-17(4,5)6/h14-15,19H,8-13H2,1-7H3
InChIKeyJQGAHMHZPGJJIV-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl 3-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 134364509
tert-butyl 3-methyl-3-[[1-(oxolan-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 104537846
tert-butyl 3-[(2,2-dimethoxyethylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254672
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140
tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104537826
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate (CID 104530876) is tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate is CC(C)CC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is JQGAHMHZPGJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14(2)11-15(3)19-12-18(7)9-8-10-20(13-18)16(21)22-17(4,5)6/h14-15,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104530876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).