methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate

C12H20N2O2 — CID 105482126

IUPACmethyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C2CCNCC2)CCNC1
InChIInChI=1S/C12H20N2O2/c1-16-12(15)11-8-14-7-4-10(11)9-2-5-13-6-3-9/h9,13-14H,2-8H2,1H3
InChIKeyOQBMBZQQHULEIE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds2

About methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate

methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate (PubChem CID 105482126) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate
PubChem CID105482126
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C2CCNCC2)CCNC1
InChIInChI=1S/C12H20N2O2/c1-16-12(15)11-8-14-7-4-10(11)9-2-5-13-6-3-9/h9,13-14H,2-8H2,1H3
InChIKeyOQBMBZQQHULEIE-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
ethane;methanethiol;methyl 4-hydroxy-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 145044515
4-(oxan-4-yl)-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 105465017
methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
CID 178200025
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
methyl 4-[(1-hydroxy-3-methoxy-3-oxopropyl)amino]-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 143618860
methyl (5S)-2-hydroxy-5-propan-2-ylcyclohexene-1-carboxylate
CID 54694601
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
methyl 3-piperidin-4-yl-5-(trifluoromethyl)benzoate
CID 155804257
dipiperidin-4-yl carbonate
CID 129132812

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The IUPAC name of methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate (CID 105482126) is methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate is COC(=O)C1=C(C2CCNCC2)CCNC1.
What is the InChIKey of methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The InChIKey is OQBMBZQQHULEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-12(15)11-8-14-7-4-10(11)9-2-5-13-6-3-9/h9,13-14H,2-8H2,1H3.
What are the key properties of methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate?
methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 105482126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).