2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde

C18H28N2O — CID 142583920

IUPAC2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde
SMILESCCC(C)CC1(CC)CCN(c2cc(C=O)ccn2)CC1
InChIInChI=1S/C18H28N2O/c1-4-15(3)13-18(5-2)7-10-20(11-8-18)17-12-16(14-21)6-9-19-17/h6,9,12,14-15H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyPBLKELGPTRLABO-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.33
Rot. Bonds6

About 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde

2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde (PubChem CID 142583920) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde
PubChem CID142583920
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde
SMILESCCC(C)CC1(CC)CCN(c2cc(C=O)ccn2)CC1
InChIInChI=1S/C18H28N2O/c1-4-15(3)13-18(5-2)7-10-20(11-8-18)17-12-16(14-21)6-9-19-17/h6,9,12,14-15H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyPBLKELGPTRLABO-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.33
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 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde (CID 142583920) is 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde is CCC(C)CC1(CC)CCN(c2cc(C=O)ccn2)CC1.
What is the InChIKey of 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde?
The InChIKey is PBLKELGPTRLABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15(3)13-18(5-2)7-10-20(11-8-18)17-12-16(14-21)6-9-19-17/h6,9,12,14-15H,4-5,7-8,10-11,13H2,1-3H3.
What are the key properties of 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde?
2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde has a molecular weight of 288.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]pyridine-4-carbaldehyde is sourced from PubChem (CID 142583920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).