1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde

C15H22N2O — CID 107875515

IUPAC1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde
SMILESCC(C)(C)c1ccc(N2CCCC(C=O)C2)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)13-6-7-14(16-9-13)17-8-4-5-12(10-17)11-18/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyYMZAACHSSZYGPY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds2

About 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde

1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde (PubChem CID 107875515) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde
PubChem CID107875515
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde
SMILESCC(C)(C)c1ccc(N2CCCC(C=O)C2)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)13-6-7-14(16-9-13)17-8-4-5-12(10-17)11-18/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyYMZAACHSSZYGPY-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 42555979
1-pyridazin-3-ylpiperidine-3-carbaldehyde
CID 62664168
6-(5-tert-butyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 107875505
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde (CID 107875515) is 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde is CC(C)(C)c1ccc(N2CCCC(C=O)C2)nc1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde?
The InChIKey is YMZAACHSSZYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)13-6-7-14(16-9-13)17-8-4-5-12(10-17)11-18/h6-7,9,11-12H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde?
1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 107875515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).