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

C17H34N2O2 — CID 104530867

IUPACtert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCCCC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-9-14(2)18-12-17(6)10-8-11-19(13-17)15(20)21-16(3,4)5/h14,18H,7-13H2,1-6H3
InChIKeyCDKJFTOONGPQJX-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds5

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

tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 104530867) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID104530867
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCCCC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-9-14(2)18-12-17(6)10-8-11-19(13-17)15(20)21-16(3,4)5/h14,18H,7-13H2,1-6H3
InChIKeyCDKJFTOONGPQJX-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
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-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate (CID 104530867) is tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate is CCCC(C)NCC1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is CDKJFTOONGPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-9-14(2)18-12-17(6)10-8-11-19(13-17)15(20)21-16(3,4)5/h14,18H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 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-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104530867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).