tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate

C19H37N3O2 — CID 91335990

IUPACtert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate
SMILESCN(CCNC1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-19(2,3)24-18(23)22-13-10-17(11-14-22)21(4)15-12-20-16-8-6-5-7-9-16/h16-17,20H,5-15H2,1-4H3
InChIKeyUJKIZQAIFLFNOM-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.24
Rot. Bonds5

About tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate

tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate (PubChem CID 91335990) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate
PubChem CID91335990
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Nametert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate
SMILESCN(CCNC1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-19(2,3)24-18(23)22-13-10-17(11-14-22)21(4)15-12-20-16-8-6-5-7-9-16/h16-17,20H,5-15H2,1-4H3
InChIKeyUJKIZQAIFLFNOM-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]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 (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
tert-butyl 4-[2-(dimethylsulfamoyl)ethylamino]azepane-1-carboxylate
CID 106336109
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103980886
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate
CID 165476539
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl 4-(2-butoxyethylamino)azepane-1-carboxylate
CID 103981761

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate (CID 91335990) is tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate is CN(CCNC1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate?
The InChIKey is UJKIZQAIFLFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-19(2,3)24-18(23)22-13-10-17(11-14-22)21(4)15-12-20-16-8-6-5-7-9-16/h16-17,20H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate has a molecular weight of 339.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 91335990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).