3-(1-methylpiperidin-4-yl)oxypropanal

C9H17NO2 — CID 87150334

IUPAC3-(1-methylpiperidin-4-yl)oxypropanal
SMILESCN1CCC(OCCC=O)CC1
InChIInChI=1S/C9H17NO2/c1-10-5-3-9(4-6-10)12-8-2-7-11/h7,9H,2-6,8H2,1H3
InChIKeyWLPWDCUYSJQWEZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds4

About 3-(1-methylpiperidin-4-yl)oxypropanal

3-(1-methylpiperidin-4-yl)oxypropanal (PubChem CID 87150334) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxypropanal.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxypropanal
PubChem CID87150334
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(1-methylpiperidin-4-yl)oxypropanal
SMILESCN1CCC(OCCC=O)CC1
InChIInChI=1S/C9H17NO2/c1-10-5-3-9(4-6-10)12-8-2-7-11/h7,9H,2-6,8H2,1H3
InChIKeyWLPWDCUYSJQWEZ-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxypropanal?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxypropanal (CID 87150334) is 3-(1-methylpiperidin-4-yl)oxypropanal.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxypropanal?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxypropanal is CN1CCC(OCCC=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxypropanal?
The InChIKey is WLPWDCUYSJQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-5-3-9(4-6-10)12-8-2-7-11/h7,9H,2-6,8H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)oxypropanal?
3-(1-methylpiperidin-4-yl)oxypropanal has a molecular weight of 171.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxypropanal is sourced from PubChem (CID 87150334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).