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

C18H36N2O2 — CID 103949617

IUPACtert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCCC(C)(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-8-11-18(6,7)19-14(2)15-10-9-12-20(13-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3
InChIKeyYEIPBPHITSTLIT-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.19
Rot. Bonds5

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

tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103949617) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID103949617
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCCC(C)(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-8-11-18(6,7)19-14(2)15-10-9-12-20(13-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3
InChIKeyYEIPBPHITSTLIT-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-[(1-hydroxy-2-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103680604
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 103949617) is tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate is CCCC(C)(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is YEIPBPHITSTLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-8-11-18(6,7)19-14(2)15-10-9-12-20(13-15)16(21)22-17(3,4)5/h14-15,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103949617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).