methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol

C23H32N4O3 — CID 157149546

IUPACmethyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol
SMILESCOC(=O)c1cccc(N2CCCCC2)n1.OCc1cccc(N2CCCCC2)n1
InChIInChI=1S/C12H16N2O2.C11H16N2O/c1-16-12(15)10-6-5-7-11(13-10)14-8-3-2-4-9-14;14-9-10-5-4-6-11(12-10)13-7-2-1-3-8-13/h5-7H,2-4,8-9H2,1H3;4-6,14H,1-3,7-9H2
InChIKeyALCDIJYBIAECBX-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.42
Rot. Bonds4

About methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol

methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol (PubChem CID 157149546) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Namemethyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol
PubChem CID157149546
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Namemethyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol
SMILESCOC(=O)c1cccc(N2CCCCC2)n1.OCc1cccc(N2CCCCC2)n1
InChIInChI=1S/C12H16N2O2.C11H16N2O/c1-16-12(15)10-6-5-7-11(13-10)14-8-3-2-4-9-14;14-9-10-5-4-6-11(12-10)13-7-2-1-3-8-13/h5-7H,2-4,8-9H2,1H3;4-6,14H,1-3,7-9H2
InChIKeyALCDIJYBIAECBX-UHFFFAOYSA-N
XLogP3.42
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol with MolForge

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Related Compounds

[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487516
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487801
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
6-(Dimethylamino)picolinic acid
CID 53408411
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
Tert-butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate
CID 66545194
6-(Diethylamino)pyridine-2-carboxylic acid
CID 1953738
Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
CID 66545192
6-(Dipropylamino)pyridine-2-carboxylic acid
CID 2402139
6-((Cyclopropylmethyl)(propyl)amino)picolinic acid
CID 2415269
1,2-[[6-(Carboxy)-pyridin-2-yl]-methylamino] ethane
CID 62255724
5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 151675170

Frequently Asked Questions

What is the IUPAC name of methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol?
The IUPAC name of methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol (CID 157149546) is methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol.
What is the SMILES notation for methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol?
The canonical SMILES for methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol is COC(=O)c1cccc(N2CCCCC2)n1.OCc1cccc(N2CCCCC2)n1.
What is the InChIKey of methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol?
The InChIKey is ALCDIJYBIAECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C11H16N2O/c1-16-12(15)10-6-5-7-11(13-10)14-8-3-2-4-9-14;14-9-10-5-4-6-11(12-10)13-7-2-1-3-8-13/h5-7H,2-4,8-9H2,1H3;4-6,14H,1-3,7-9H2.
What are the key properties of methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol?
methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol has a molecular weight of 412.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol is sourced from PubChem (CID 157149546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).