2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile

C14H18ClN3O — CID 63870686

IUPAC2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCCOC1CCNCC1
InChIInChI=1S/C14H18ClN3O/c15-13-2-1-3-14(12(13)10-16)18-8-9-19-11-4-6-17-7-5-11/h1-3,11,17-18H,4-9H2
InChIKeyAMLWVIVKAMNZLI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.39
Rot. Bonds5

About 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile

2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile (PubChem CID 63870686) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile
PubChem CID63870686
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCCOC1CCNCC1
InChIInChI=1S/C14H18ClN3O/c15-13-2-1-3-14(12(13)10-16)18-8-9-19-11-4-6-17-7-5-11/h1-3,11,17-18H,4-9H2
InChIKeyAMLWVIVKAMNZLI-UHFFFAOYSA-N
XLogP2.39
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63871017
2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile
CID 63629760
2-chloro-6-(2-pyrrolidin-2-ylethylamino)benzonitrile
CID 114794369
2-chloro-6-piperidin-4-yloxybenzonitrile
CID 62497393
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63869672
4-chloro-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63869174
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
2-chloro-6-[2-(2-methoxyethylamino)ethylamino]benzonitrile
CID 83030093
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
2-chloro-6-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)benzonitrile
CID 114694343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile (CID 63870686) is 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile is N#Cc1c(Cl)cccc1NCCOC1CCNCC1.
What is the InChIKey of 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile?
The InChIKey is AMLWVIVKAMNZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-2-1-3-14(12(13)10-16)18-8-9-19-11-4-6-17-7-5-11/h1-3,11,17-18H,4-9H2.
What are the key properties of 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile?
2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile has a molecular weight of 279.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile is sourced from PubChem (CID 63870686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).