6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile

C16H23N3 — CID 142683789

IUPAC6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile
SMILESCC1CC(C(C)(C)C)N(c2ccccn2)CC1C#N
InChIInChI=1S/C16H23N3/c1-12-9-14(16(2,3)4)19(11-13(12)10-17)15-7-5-6-8-18-15/h5-8,12-14H,9,11H2,1-4H3
InChIKeyHAAORPNTQGAIGF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.48
Rot. Bonds1

About 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile

6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile (PubChem CID 142683789) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile
PubChem CID142683789
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile
SMILESCC1CC(C(C)(C)C)N(c2ccccn2)CC1C#N
InChIInChI=1S/C16H23N3/c1-12-9-14(16(2,3)4)19(11-13(12)10-17)15-7-5-6-8-18-15/h5-8,12-14H,9,11H2,1-4H3
InChIKeyHAAORPNTQGAIGF-UHFFFAOYSA-N
XLogP3.48
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile (CID 142683789) is 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile is CC1CC(C(C)(C)C)N(c2ccccn2)CC1C#N.
What is the InChIKey of 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile?
The InChIKey is HAAORPNTQGAIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-9-14(16(2,3)4)19(11-13(12)10-17)15-7-5-6-8-18-15/h5-8,12-14H,9,11H2,1-4H3.
What are the key properties of 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile?
6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 142683789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).