6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde

C16H24N2O — CID 80631324

IUPAC6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyBTTNZUKAMGIXQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.47
Rot. Bonds2

About 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde

6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde (PubChem CID 80631324) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
PubChem CID80631324
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyBTTNZUKAMGIXQT-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde (CID 80631324) is 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is BTTNZUKAMGIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 260.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80631324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).