2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile

C17H24N2 — CID 63510324

IUPAC2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H24N2/c1-13-5-6-14(12-18)16(11-13)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10H2,1-4H3
InChIKeyULRIQPNLYHDRBO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.13
Rot. Bonds1

About 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile

2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile (PubChem CID 63510324) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile
PubChem CID63510324
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H24N2/c1-13-5-6-14(12-18)16(11-13)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10H2,1-4H3
InChIKeyULRIQPNLYHDRBO-UHFFFAOYSA-N
XLogP4.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-4-methylbenzonitrile
CID 62301953
2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methylbenzonitrile
CID 106835908
4-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzonitrile
CID 79170479
2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylbenzonitrile
CID 114961752
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
2-(3-hydroxypiperidin-1-yl)-4-methylbenzonitrile
CID 62308362
2-(4-tert-butylpiperidin-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939083
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-methylbenzonitrile
CID 66212028
2-(4-hydroxy-3-methylpiperidin-1-yl)-5-methylbenzonitrile
CID 107927910
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile (CID 63510324) is 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile is Cc1ccc(C#N)c(N2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile?
The InChIKey is ULRIQPNLYHDRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-5-6-14(12-18)16(11-13)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile?
2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile is sourced from PubChem (CID 63510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).