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

C15H30N2O2 — CID 55212997

IUPACtert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)16-12(3)13-8-7-9-17(10-13)14(18)19-15(4,5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyNGGNYBSZNIVOEV-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds3

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

tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 55212997) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID55212997
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)16-12(3)13-8-7-9-17(10-13)14(18)19-15(4,5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyNGGNYBSZNIVOEV-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
CID 97174928
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-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 55212997) is tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate is CC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is NGGNYBSZNIVOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)16-12(3)13-8-7-9-17(10-13)14(18)19-15(4,5)6/h11-13,16H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 55212997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).