tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate

C16H29NO2 — CID 143539549

IUPACtert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1C1CC1(C)C
InChIInChI=1S/C16H29NO2/c1-11-7-8-17(14(18)19-15(2,3)4)10-12(11)13-9-16(13,5)6/h11-13H,7-10H2,1-6H3
InChIKeyGETXFOOHAKKAEM-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.93
Rot. Bonds1

About tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate

tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate (PubChem CID 143539549) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate
PubChem CID143539549
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1C1CC1(C)C
InChIInChI=1S/C16H29NO2/c1-11-7-8-17(14(18)19-15(2,3)4)10-12(11)13-9-16(13,5)6/h11-13H,7-10H2,1-6H3
InChIKeyGETXFOOHAKKAEM-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 4-methyl-3-methylsulfanylpiperidine-1-carboxylate
CID 151965583
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate
CID 167461657
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate (CID 143539549) is tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OC(C)(C)C)CC1C1CC1(C)C.
What is the InChIKey of tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is GETXFOOHAKKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11-7-8-17(14(18)19-15(2,3)4)10-12(11)13-9-16(13,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 143539549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).