6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine

C21H27N3 — CID 174598268

IUPAC6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine
SMILESCc1nc(CC2CCN(C3CCC3)CC2)ccc1-c1ccncc1
InChIInChI=1S/C21H27N3/c1-16-21(18-7-11-22-12-8-18)6-5-19(23-16)15-17-9-13-24(14-10-17)20-3-2-4-20/h5-8,11-12,17,20H,2-4,9-10,13-15H2,1H3
InChIKeyKKXHSXYFXKCJEJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.26
Rot. Bonds4

About 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine

6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine (PubChem CID 174598268) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine
PubChem CID174598268
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine
SMILESCc1nc(CC2CCN(C3CCC3)CC2)ccc1-c1ccncc1
InChIInChI=1S/C21H27N3/c1-16-21(18-7-11-22-12-8-18)6-5-19(23-16)15-17-9-13-24(14-10-17)20-3-2-4-20/h5-8,11-12,17,20H,2-4,9-10,13-15H2,1H3
InChIKeyKKXHSXYFXKCJEJ-UHFFFAOYSA-N
XLogP4.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine?
The IUPAC name of 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine (CID 174598268) is 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine.
What is the SMILES notation for 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine?
The canonical SMILES for 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine is Cc1nc(CC2CCN(C3CCC3)CC2)ccc1-c1ccncc1.
What is the InChIKey of 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine?
The InChIKey is KKXHSXYFXKCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-16-21(18-7-11-22-12-8-18)6-5-19(23-16)15-17-9-13-24(14-10-17)20-3-2-4-20/h5-8,11-12,17,20H,2-4,9-10,13-15H2,1H3.
What are the key properties of 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine?
6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine has a molecular weight of 321.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclobutylpiperidin-4-yl)methyl]-2-methyl-3-pyridin-4-ylpyridine is sourced from PubChem (CID 174598268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).