1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile

C14H19N3O — CID 82892857

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
SMILESCOc1cc(C)nc(CN2CCCCC2C#N)c1
InChIInChI=1S/C14H19N3O/c1-11-7-14(18-2)8-12(16-11)10-17-6-4-3-5-13(17)9-15/h7-8,13H,3-6,10H2,1-2H3
InChIKeyULEUWAULTXFCPG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds3

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile (PubChem CID 82892857) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
PubChem CID82892857
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
SMILESCOc1cc(C)nc(CN2CCCCC2C#N)c1
InChIInChI=1S/C14H19N3O/c1-11-7-14(18-2)8-12(16-11)10-17-6-4-3-5-13(17)9-15/h7-8,13H,3-6,10H2,1-2H3
InChIKeyULEUWAULTXFCPG-UHFFFAOYSA-N
XLogP2.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
CID 82896519
N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 82893848
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 79267259
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115771061
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 82893710
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 82893783
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82887683
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 82893021
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 114800491
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile (CID 82892857) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile is COc1cc(C)nc(CN2CCCCC2C#N)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile?
The InChIKey is ULEUWAULTXFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-7-14(18-2)8-12(16-11)10-17-6-4-3-5-13(17)9-15/h7-8,13H,3-6,10H2,1-2H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 82892857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).