2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride

C13H18ClN3O — CID 158177882

IUPAC2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
SMILESCc1cc(C#N)cc(OCC2CCNCC2)n1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10-6-12(8-14)7-13(16-10)17-9-11-2-4-15-5-3-11;/h6-7,11,15H,2-5,9H2,1H3;1H
InChIKeyPZQAZQHHIKQJLF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride

2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride (PubChem CID 158177882) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
PubChem CID158177882
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
SMILESCc1cc(C#N)cc(OCC2CCNCC2)n1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10-6-12(8-14)7-13(16-10)17-9-11-2-4-15-5-3-11;/h6-7,11,15H,2-5,9H2,1H3;1H
InChIKeyPZQAZQHHIKQJLF-UHFFFAOYSA-N
XLogP2.06
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 62349222
2,4-dimethyl-6-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 62371609
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-cyclopentyloxy-6-methylpyridine-4-carbonitrile
CID 114766754
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 55064372
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride (CID 158177882) is 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride is Cc1cc(C#N)cc(OCC2CCNCC2)n1.Cl.
What is the InChIKey of 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride?
The InChIKey is PZQAZQHHIKQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-10-6-12(8-14)7-13(16-10)17-9-11-2-4-15-5-3-11;/h6-7,11,15H,2-5,9H2,1H3;1H.
What are the key properties of 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride?
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 158177882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).