3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile

C12H14ClN3O — CID 107061650

IUPAC3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCNCC2)c1Cl
InChIInChI=1S/C12H14ClN3O/c13-11-10(7-14)3-6-16-12(11)17-8-9-1-4-15-5-2-9/h3,6,9,15H,1-2,4-5,8H2
InChIKeyAKZKLFBNBYIOJJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.99
Rot. Bonds3

About 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile

3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile (PubChem CID 107061650) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
PubChem CID107061650
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCNCC2)c1Cl
InChIInChI=1S/C12H14ClN3O/c13-11-10(7-14)3-6-16-12(11)17-8-9-1-4-15-5-2-9/h3,6,9,15H,1-2,4-5,8H2
InChIKeyAKZKLFBNBYIOJJ-UHFFFAOYSA-N
XLogP1.99
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-ylmethoxy)isoquinoline-5-carbonitrile
CID 82569770
3-(piperidin-4-ylmethoxy)pyrazine-2-carbonitrile
CID 62685373
1-(piperidin-4-ylmethoxy)isoquinoline-7-carbonitrile
CID 82569764
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
1-(piperidin-4-ylmethoxy)isoquinoline-6-carbonitrile
CID 82569767
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
2-(piperidin-4-ylmethoxy)pyridin-3-ol
CID 71646429
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
5-chloro-2-(piperidin-4-ylmethoxy)pyridine
CID 62348953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile (CID 107061650) is 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCC2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile?
The InChIKey is AKZKLFBNBYIOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-11-10(7-14)3-6-16-12(11)17-8-9-1-4-15-5-2-9/h3,6,9,15H,1-2,4-5,8H2.
What are the key properties of 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile?
3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107061650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).