methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate

C14H20N2O2 — CID 60648150

IUPACmethyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)12-5-9-16(10-6-12)11-7-13-4-2-3-8-15-13/h2-4,8,12H,5-7,9-11H2,1H3
InChIKeyVDSPJAREAPRRSR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate

methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate (PubChem CID 60648150) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
PubChem CID60648150
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)12-5-9-16(10-6-12)11-7-13-4-2-3-8-15-13/h2-4,8,12H,5-7,9-11H2,1H3
InChIKeyVDSPJAREAPRRSR-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
N-[2-(2-fluorophenyl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 47056014
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 46972140
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 51586936
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate (CID 60648150) is methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The InChIKey is VDSPJAREAPRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)12-5-9-16(10-6-12)11-7-13-4-2-3-8-15-13/h2-4,8,12H,5-7,9-11H2,1H3.
What are the key properties of methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60648150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).