tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate

C16H32N2O2 — CID 61044256

IUPACtert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
SMILESCC(C)CCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-13(2)7-6-10-17-14-8-11-18(12-9-14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyZZDPXRMNFFKXNJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate

tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate (PubChem CID 61044256) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
PubChem CID61044256
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
SMILESCC(C)CCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-13(2)7-6-10-17-14-8-11-18(12-9-14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyZZDPXRMNFFKXNJ-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-methylpentylamino)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 4-(4-hydroxypentylamino)piperidine-1-carboxylate
CID 107267903
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828
tert-butyl 3-(7-methyloctylamino)azetidine-1-carboxylate
CID 63421387
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl (3R)-3-(3-cyclohexyloxypropylamino)pyrrolidine-1-carboxylate
CID 97236036
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate (CID 61044256) is tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate is CC(C)CCCNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate?
The InChIKey is ZZDPXRMNFFKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)7-6-10-17-14-8-11-18(12-9-14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate?
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate is sourced from PubChem (CID 61044256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).