4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile

C19H24N4 — CID 133319575

IUPAC4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile
SMILESCC(C)(C)N1CCC(Nc2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C19H24N4/c1-19(2,3)23-10-8-14(9-11-23)21-18-12-15(13-20)22-17-7-5-4-6-16(17)18/h4-7,12,14H,8-11H2,1-3H3,(H,21,22)
InChIKeyZXMIROBJNXDNEQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.78
Rot. Bonds2

About 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile

4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile (PubChem CID 133319575) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile
PubChem CID133319575
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile
SMILESCC(C)(C)N1CCC(Nc2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C19H24N4/c1-19(2,3)23-10-8-14(9-11-23)21-18-12-15(13-20)22-17-7-5-4-6-16(17)18/h4-7,12,14H,8-11H2,1-3H3,(H,21,22)
InChIKeyZXMIROBJNXDNEQ-UHFFFAOYSA-N
XLogP3.78
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile?
The IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile (CID 133319575) is 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile is CC(C)(C)N1CCC(Nc2cc(C#N)nc3ccccc23)CC1.
What is the InChIKey of 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile?
The InChIKey is ZXMIROBJNXDNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-19(2,3)23-10-8-14(9-11-23)21-18-12-15(13-20)22-17-7-5-4-6-16(17)18/h4-7,12,14H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile?
4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile has a molecular weight of 308.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile is sourced from PubChem (CID 133319575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).