methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate

C12H14Cl2N2O2 — CID 87174001

IUPACmethyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-12(17)8-2-4-16(5-3-8)9-6-10(13)15-11(14)7-9/h6-8H,2-5H2,1H3
InChIKeyHJNVPSCAUGSXSG-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.78
Rot. Bonds2

About methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate

methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 87174001) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
PubChem CID87174001
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Namemethyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-12(17)8-2-4-16(5-3-8)9-6-10(13)15-11(14)7-9/h6-8H,2-5H2,1H3
InChIKeyHJNVPSCAUGSXSG-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-chloro-4-methylphenyl)piperidine-4-carboxylate
CID 117028048
tert-butyl 4-[4-[6-chloro-4-(4-methoxycarbonylpiperidin-1-yl)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 87280225
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
CID 59023366
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide
CID 176574634
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
CID 103204947

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate (CID 87174001) is methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is HJNVPSCAUGSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-12(17)8-2-4-16(5-3-8)9-6-10(13)15-11(14)7-9/h6-8H,2-5H2,1H3.
What are the key properties of methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate?
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 289.16 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 87174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).