2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal

C14H27NO2 — CID 102966865

IUPAC2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal
SMILESCCC(C=O)(CC)CN1CCC(C)C(OC)C1
InChIInChI=1S/C14H27NO2/c1-5-14(6-2,11-16)10-15-8-7-12(3)13(9-15)17-4/h11-13H,5-10H2,1-4H3
InChIKeyQCTMYUCNLZNNFQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal

2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal (PubChem CID 102966865) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal.

Molecular Properties

Compound Name2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal
PubChem CID102966865
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal
SMILESCCC(C=O)(CC)CN1CCC(C)C(OC)C1
InChIInChI=1S/C14H27NO2/c1-5-14(6-2,11-16)10-15-8-7-12(3)13(9-15)17-4/h11-13H,5-10H2,1-4H3
InChIKeyQCTMYUCNLZNNFQ-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
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-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal?
The IUPAC name of 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal (CID 102966865) is 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal.
What is the SMILES notation for 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal?
The canonical SMILES for 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal is CCC(C=O)(CC)CN1CCC(C)C(OC)C1.
What is the InChIKey of 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal?
The InChIKey is QCTMYUCNLZNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-14(6-2,11-16)10-15-8-7-12(3)13(9-15)17-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal?
2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal is sourced from PubChem (CID 102966865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).