methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate

C12H21NO2 — CID 65462250

IUPACmethyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)11-5-7-13(8-6-11)9-10-3-2-4-10/h10-11H,2-9H2,1H3
InChIKeyGADVVWNFHVLZSB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds3

About methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate

methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate (PubChem CID 65462250) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
PubChem CID65462250
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)11-5-7-13(8-6-11)9-10-3-2-4-10/h10-11H,2-9H2,1H3
InChIKeyGADVVWNFHVLZSB-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate
CID 169226173
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60669971
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate (CID 65462250) is methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CC2CCC2)CC1.
What is the InChIKey of methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate?
The InChIKey is GADVVWNFHVLZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12(14)11-5-7-13(8-6-11)9-10-3-2-4-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate?
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 65462250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).