methyl 3-butan-2-ylpiperidine-1-carboxylate

C11H21NO2 — CID 171824675

IUPACmethyl 3-butan-2-ylpiperidine-1-carboxylate
SMILESCCC(C)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C11H21NO2/c1-4-9(2)10-6-5-7-12(8-10)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWCQCLBWRCFHXLC-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.51
Rot. Bonds2

About methyl 3-butan-2-ylpiperidine-1-carboxylate

methyl 3-butan-2-ylpiperidine-1-carboxylate (PubChem CID 171824675) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-butan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-butan-2-ylpiperidine-1-carboxylate
PubChem CID171824675
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-butan-2-ylpiperidine-1-carboxylate
SMILESCCC(C)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C11H21NO2/c1-4-9(2)10-6-5-7-12(8-10)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWCQCLBWRCFHXLC-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
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methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
methyl 3-(1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 83906912
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-(iodomethyl)piperidine-1-carboxylate
CID 143863584
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of methyl 3-butan-2-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-butan-2-ylpiperidine-1-carboxylate (CID 171824675) is methyl 3-butan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-butan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-butan-2-ylpiperidine-1-carboxylate is CCC(C)C1CCCN(C(=O)OC)C1.
What is the InChIKey of methyl 3-butan-2-ylpiperidine-1-carboxylate?
The InChIKey is WCQCLBWRCFHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)10-6-5-7-12(8-10)11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-butan-2-ylpiperidine-1-carboxylate?
methyl 3-butan-2-ylpiperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 171824675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).