4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile

C17H25N3 — CID 58394785

IUPAC4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)(C)C1(C)CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C17H25N3/c1-16(2,3)17(4)6-9-20(10-7-17)13-14-5-8-19-15(11-14)12-18/h5,8,11H,6-7,9-10,13H2,1-4H3
InChIKeyHXVNRNQFTBSZRX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.60
Rot. Bonds2

About 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile

4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 58394785) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID58394785
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)(C)C1(C)CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C17H25N3/c1-16(2,3)17(4)6-9-20(10-7-17)13-14-5-8-19-15(11-14)12-18/h5,8,11H,6-7,9-10,13H2,1-4H3
InChIKeyHXVNRNQFTBSZRX-UHFFFAOYSA-N
XLogP3.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile (CID 58394785) is 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile is CC(C)(C)C1(C)CCN(Cc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is HXVNRNQFTBSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2,3)17(4)6-9-20(10-7-17)13-14-5-8-19-15(11-14)12-18/h5,8,11H,6-7,9-10,13H2,1-4H3.
What are the key properties of 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 58394785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).