2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile

C18H19N3 — CID 134287245

IUPAC2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C18H19N3/c19-11-10-17-7-4-16(14-20-17)15-5-8-18(9-6-15)21-12-2-1-3-13-21/h4-9,14H,1-3,10,12-13H2
InChIKeyHHAQJGOPQCRBHY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.80
Rot. Bonds3

About 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile

2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile (PubChem CID 134287245) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile
PubChem CID134287245
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C18H19N3/c19-11-10-17-7-4-16(14-20-17)15-5-8-18(9-6-15)21-12-2-1-3-13-21/h4-9,14H,1-3,10,12-13H2
InChIKeyHHAQJGOPQCRBHY-UHFFFAOYSA-N
XLogP3.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile
CID 175441595
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
CID 118401000
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107
2-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]acetonitrile
CID 94280400
1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine
CID 130373502
4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
CID 159348148
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 157211397

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile (CID 134287245) is 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile is N#CCc1ccc(-c2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile?
The InChIKey is HHAQJGOPQCRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-11-10-17-7-4-16(14-20-17)15-5-8-18(9-6-15)21-12-2-1-3-13-21/h4-9,14H,1-3,10,12-13H2.
What are the key properties of 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile?
2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134287245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).