methyl 1-(1-cyanoethyl)piperidine-4-carboxylate

C10H16N2O2 — CID 60644934

IUPACmethyl 1-(1-cyanoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-8(7-11)12-5-3-9(4-6-12)10(13)14-2/h8-9H,3-6H2,1-2H3
InChIKeyLPCLEFZXJMFGLJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds2

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

methyl 1-(1-cyanoethyl)piperidine-4-carboxylate (PubChem CID 60644934) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 1-(1-cyanoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyanoethyl)piperidine-4-carboxylate
PubChem CID60644934
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 1-(1-cyanoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-8(7-11)12-5-3-9(4-6-12)10(13)14-2/h8-9H,3-6H2,1-2H3
InChIKeyLPCLEFZXJMFGLJ-UHFFFAOYSA-N
XLogP0.78
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxypiperidin-1-yl)propanenitrile
CID 60704176
methyl 1-carbonocyanidoylpiperidine-4-carboxylate
CID 177487230
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
CID 63382676
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
methyl 4-(1-cyanoethoxy)cyclohexane-1-carboxylate
CID 114450506
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
methyl (3S)-1-(1-cyanopropan-2-yl)piperidine-3-carboxylate
CID 79039548
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
CID 124828879
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate
CID 105452324

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyanoethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-cyanoethyl)piperidine-4-carboxylate (CID 60644934) is methyl 1-(1-cyanoethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-cyanoethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-cyanoethyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(C)C#N)CC1.
What is the InChIKey of methyl 1-(1-cyanoethyl)piperidine-4-carboxylate?
The InChIKey is LPCLEFZXJMFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(7-11)12-5-3-9(4-6-12)10(13)14-2/h8-9H,3-6H2,1-2H3.
What are the key properties of methyl 1-(1-cyanoethyl)piperidine-4-carboxylate?
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyanoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60644934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).