ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile

C14H21N3O — CID 144616313

IUPACethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
SMILESCC.Cc1c(C#N)ccnc1OC1CCCNC1
InChIInChI=1S/C12H15N3O.C2H6/c1-9-10(7-13)4-6-15-12(9)16-11-3-2-5-14-8-11;1-2/h4,6,11,14H,2-3,5,8H2,1H3;1-2H3
InChIKeyWVHPFYOKVDHUDB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds2

About ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile

ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile (PubChem CID 144616313) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
PubChem CID144616313
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Nameethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
SMILESCC.Cc1c(C#N)ccnc1OC1CCCNC1
InChIInChI=1S/C12H15N3O.C2H6/c1-9-10(7-13)4-6-15-12(9)16-11-3-2-5-14-8-11;1-2/h4,6,11,14H,2-3,5,8H2,1H3;1-2H3
InChIKeyWVHPFYOKVDHUDB-UHFFFAOYSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile?
The IUPAC name of ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile (CID 144616313) is ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile.
What is the SMILES notation for ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile?
The canonical SMILES for ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile is CC.Cc1c(C#N)ccnc1OC1CCCNC1.
What is the InChIKey of ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile?
The InChIKey is WVHPFYOKVDHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C2H6/c1-9-10(7-13)4-6-15-12(9)16-11-3-2-5-14-8-11;1-2/h4,6,11,14H,2-3,5,8H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile?
ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile is sourced from PubChem (CID 144616313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).