2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile

C17H24N2 — CID 117028200

IUPAC2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile
SMILESCC(C)(C)c1ccccc1N1CCCCC1CC#N
InChIInChI=1S/C17H24N2/c1-17(2,3)15-9-4-5-10-16(15)19-13-7-6-8-14(19)11-12-18/h4-5,9-10,14H,6-8,11,13H2,1-3H3
InChIKeyAAKYGHJJHVLTDT-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.26
Rot. Bonds2

About 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile

2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile (PubChem CID 117028200) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile
PubChem CID117028200
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile
SMILESCC(C)(C)c1ccccc1N1CCCCC1CC#N
InChIInChI=1S/C17H24N2/c1-17(2,3)15-9-4-5-10-16(15)19-13-7-6-8-14(19)11-12-18/h4-5,9-10,14H,6-8,11,13H2,1-3H3
InChIKeyAAKYGHJJHVLTDT-UHFFFAOYSA-N
XLogP4.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoic acid
CID 174846832
ethyl 2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoate
CID 118695790
1-(2-tert-butylphenyl)aziridine-2-carbonitrile
CID 117009817
2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 55167783
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
methyl 3-[2-(cyanomethyl)piperidin-1-yl]benzoate
CID 117028234
2-[1-(3-chloro-4-fluorophenyl)piperidin-2-yl]acetonitrile
CID 117028211
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 117022687
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
2-[1-[2-[1-(2-fluoro-5-methoxyphenyl)piperidin-4-yl]oxyphenyl]pyrrolidin-2-yl]acetonitrile
CID 90157862
(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
CID 101074917

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile (CID 117028200) is 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile is CC(C)(C)c1ccccc1N1CCCCC1CC#N.
What is the InChIKey of 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile?
The InChIKey is AAKYGHJJHVLTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,3)15-9-4-5-10-16(15)19-13-7-6-8-14(19)11-12-18/h4-5,9-10,14H,6-8,11,13H2,1-3H3.
What are the key properties of 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile?
2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile is sourced from PubChem (CID 117028200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).