ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine

C12H27NO — CID 144973284

IUPACethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC.CC1CCNC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-8-5-6-11-9(7-8)12-10(2,3)4;1-2/h8-9,11H,5-7H2,1-4H3;1-2H3
InChIKeyZPTAGVIUVUOCIF-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.17
Rot. Bonds1

About ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine

ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 144973284) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Nameethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID144973284
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC.CC1CCNC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-8-5-6-11-9(7-8)12-10(2,3)4;1-2/h8-9,11H,5-7H2,1-4H3;1-2H3
InChIKeyZPTAGVIUVUOCIF-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoropropan-2-yl)-4-methylpiperidine
CID 171096170
(4R)-2,4-dimethylpiperidine
CID 144551274
(2S)-4-methyl-2-(trifluoromethyl)piperidine
CID 161454628
4-methyl-2-nitrosopiperidine
CID 91506652
ethane;2-ethyl-4-methylpiperidine
CID 142379207
2-chloro-4-methylpiperidine
CID 22714654
ethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrole
CID 168995443
ethane;2-methoxy-2-methylpropane;3-methylpyrrolidine;hydrate
CID 145463326
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
2-amino-2-methyl-1-(4-methylpiperidin-2-yl)propan-1-ol
CID 130589366
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine (CID 144973284) is ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine is CC.CC1CCNC(OC(C)(C)C)C1.
What is the InChIKey of ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is ZPTAGVIUVUOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-8-5-6-11-9(7-8)12-10(2,3)4;1-2/h8-9,11H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine?
ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 201.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 144973284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).