2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride

C13H18ClN3O — CID 71643682

IUPAC2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(OCCC2CCNCC2)c1
InChIInChI=1S/C13H17N3O.ClH/c14-10-12-3-7-16-13(9-12)17-8-4-11-1-5-15-6-2-11;/h3,7,9,11,15H,1-2,4-6,8H2;1H
InChIKeyAHSHTDLUVHDUCK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride

2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride (PubChem CID 71643682) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
PubChem CID71643682
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(OCCC2CCNCC2)c1
InChIInChI=1S/C13H17N3O.ClH/c14-10-12-3-7-16-13(9-12)17-8-4-11-1-5-15-6-2-11;/h3,7,9,11,15H,1-2,4-6,8H2;1H
InChIKeyAHSHTDLUVHDUCK-UHFFFAOYSA-N
XLogP2.14
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126955003
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
1-(piperidin-4-ylmethoxy)isoquinoline-7-carbonitrile
CID 82569764
2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
CID 97166435
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-(2-propoxyethoxy)pyridine-4-carbonitrile
CID 63686937
4-methoxy-2-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 162422911
2-(morpholin-2-ylmethoxy)pyridine-4-carbonitrile
CID 114469059
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008
1-(piperidin-4-ylmethoxy)isoquinoline-6-carbonitrile
CID 82569767
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
CID 158177882

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride (CID 71643682) is 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride is Cl.N#Cc1ccnc(OCCC2CCNCC2)c1.
What is the InChIKey of 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride?
The InChIKey is AHSHTDLUVHDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c14-10-12-3-7-16-13(9-12)17-8-4-11-1-5-15-6-2-11;/h3,7,9,11,15H,1-2,4-6,8H2;1H.
What are the key properties of 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride?
2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 71643682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).