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

C18H36N2O2 — CID 103782879

IUPACtert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)CC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14(2)12-15(3)19-10-9-16-8-7-11-20(13-16)17(21)22-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyXXSCCGNHBXPTLD-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.05
Rot. Bonds6

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

tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103782879) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID103782879
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)CC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14(2)12-15(3)19-10-9-16-8-7-11-20(13-16)17(21)22-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyXXSCCGNHBXPTLD-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
CID 107249114
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249105
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 3-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]piperidine-1-carboxylate
CID 111799594
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103700546

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 103782879) is tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate is CC(C)CC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is XXSCCGNHBXPTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14(2)12-15(3)19-10-9-16-8-7-11-20(13-16)17(21)22-18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103782879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).