tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate

C15H26N4O2 — CID 107095228

IUPACtert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NCc2ncc[nH]2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-11-9-12(18-10-13-16-6-7-17-13)5-8-19(11)14(20)21-15(2,3)4/h6-7,11-12,18H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyIHUBQMWAMUESIU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 107095228) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
PubChem CID107095228
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NCc2ncc[nH]2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-11-9-12(18-10-13-16-6-7-17-13)5-8-19(11)14(20)21-15(2,3)4/h6-7,11-12,18H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyIHUBQMWAMUESIU-UHFFFAOYSA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-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 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
tert-butyl 2-methyl-4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 166514038
tert-butyl 4-[(3-ethylimidazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107255150
tert-butyl 4-[(5-bromo-3-pyridinyl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095257
tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 4-[(4-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107166945
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095221
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl (2R)-2-[4-(1H-imidazol-2-ylmethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
CID 122153351
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107255144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate (CID 107095228) is tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate is CC1CC(NCc2ncc[nH]2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is IHUBQMWAMUESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-9-12(18-10-13-16-6-7-17-13)5-8-19(11)14(20)21-15(2,3)4/h6-7,11-12,18H,5,8-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).