ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate

C12H25NO2 — CID 143709693

IUPACethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyUUTRWSUWUMUCED-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.15
Rot. Bonds1

About ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate

ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 143709693) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID143709693
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyUUTRWSUWUMUCED-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
CID 123981313
CID 123981313
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714080
methyl 3-(1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 83906912
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate (CID 143709693) is ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate is CC.COC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is UUTRWSUWUMUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-8(2)9-4-6-11(7-5-9)10(12)13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate?
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 215.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 143709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).