methyl 5-(dimethylamino)piperidine-3-carboxylate

C9H18N2O2 — CID 83828932

IUPACmethyl 5-(dimethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CNCC(N(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h7-8,10H,4-6H2,1-3H3
InChIKeySZKGROTZIKFCAV-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.30
Rot. Bonds2

About methyl 5-(dimethylamino)piperidine-3-carboxylate

methyl 5-(dimethylamino)piperidine-3-carboxylate (PubChem CID 83828932) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 5-(dimethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)piperidine-3-carboxylate
PubChem CID83828932
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 5-(dimethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CNCC(N(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h7-8,10H,4-6H2,1-3H3
InChIKeySZKGROTZIKFCAV-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 5-(dimethylamino)piperidine-3-carboxylate (CID 83828932) is methyl 5-(dimethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(dimethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 5-(dimethylamino)piperidine-3-carboxylate is COC(=O)C1CNCC(N(C)C)C1.
What is the InChIKey of methyl 5-(dimethylamino)piperidine-3-carboxylate?
The InChIKey is SZKGROTZIKFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of methyl 5-(dimethylamino)piperidine-3-carboxylate?
methyl 5-(dimethylamino)piperidine-3-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83828932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).