tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate

C15H26N4O2 — CID 23138462

IUPACtert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCc1cnc(CNC2CCN(C(=O)OC(C)(C)C)CC2)[nH]1
InChIInChI=1S/C15H26N4O2/c1-11-9-17-13(18-11)10-16-12-5-7-19(8-6-12)14(20)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyYRRSWYXFTGOLHI-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 23138462) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID23138462
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCc1cnc(CNC2CCN(C(=O)OC(C)(C)C)CC2)[nH]1
InChIInChI=1S/C15H26N4O2/c1-11-9-17-13(18-11)10-16-12-5-7-19(8-6-12)14(20)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyYRRSWYXFTGOLHI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamate
CID 573085
1,1-Dimethylethyl N-(3-((2-(1H-imidazol-5-yl)ethyl)amino)-3-oxopropyl)carbamate
CID 10588966
tert-butyl N-[(1H-imidazol-4-yl)methyl]carbamate
CID 57321556
tert-butyl 2-(4-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 137935976
tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 134789102
tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 134789944
tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
tert-butyl 4-(4-ethyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867392
tert-butyl 4-(4-isopropyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867557
tert-butyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
CID 402562
tert-Butyl 4-(1H-imidazol-4-yl)piperidine-1-carboxylate
CID 15233293
tert-butyl 3-(1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102707022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate (CID 23138462) is tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate is Cc1cnc(CNC2CCN(C(=O)OC(C)(C)C)CC2)[nH]1.
What is the InChIKey of tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is YRRSWYXFTGOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-9-17-13(18-11)10-16-12-5-7-19(8-6-12)14(20)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-methyl-1H-imidazol-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 23138462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).