methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate

C17H34N2O2 — CID 83995695

IUPACmethyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)7-8-18-15-9-14(10-17(3,4)5)11-19(12-15)16(20)21-6/h13-15,18H,7-12H2,1-6H3
InChIKeyZGBCWPJDKQALAW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.52
Rot. Bonds5

About methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate

methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate (PubChem CID 83995695) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
PubChem CID83995695
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)7-8-18-15-9-14(10-17(3,4)5)11-19(12-15)16(20)21-6/h13-15,18H,7-12H2,1-6H3
InChIKeyZGBCWPJDKQALAW-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992230
Methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992234
Methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate
CID 83992923
Methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83992927
Methyl 4-methyl-3-(methylamino)piperidine-1-carboxylate
CID 10012666
2-Tert-butyl-3-(methylamino)piperidine-1-carboxylic acid
CID 17851859
4-(2-Aminoethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 17959827
methyl N-piperidin-4-yl-N-(3,5,5-trimethylhexyl)carbamate;hydrochloride
CID 18372782
methyl N-piperidin-4-yl-N-(3,5,5-trimethylhexyl)carbamate
CID 18372783
2-Tert-butyl-4-(methylaminomethyl)piperidine-1-carboxylic acid
CID 21994152
3-(2-Methylpentan-2-yl)piperazine-1-carboxylic acid
CID 57107260
tert-butyl (2R)-2-[[(4-tert-butylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 58394797

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate (CID 83995695) is methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate is COC(=O)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1.
What is the InChIKey of methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate?
The InChIKey is ZGBCWPJDKQALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)7-8-18-15-9-14(10-17(3,4)5)11-19(12-15)16(20)21-6/h13-15,18H,7-12H2,1-6H3.
What are the key properties of methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate?
methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).