2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde

C11H19NO — CID 88533439

IUPAC2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde
SMILESCN1CCC(C2CC2CC=O)CC1
InChIInChI=1S/C11H19NO/c1-12-5-2-9(3-6-12)11-8-10(11)4-7-13/h7,9-11H,2-6,8H2,1H3
InChIKeyRFGHQAPKFQIKRL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds3

About 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde

2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde (PubChem CID 88533439) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde
PubChem CID88533439
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde
SMILESCN1CCC(C2CC2CC=O)CC1
InChIInChI=1S/C11H19NO/c1-12-5-2-9(3-6-12)11-8-10(11)4-7-13/h7,9-11H,2-6,8H2,1H3
InChIKeyRFGHQAPKFQIKRL-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde (CID 88533439) is 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde is CN1CCC(C2CC2CC=O)CC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde?
The InChIKey is RFGHQAPKFQIKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-5-2-9(3-6-12)11-8-10(11)4-7-13/h7,9-11H,2-6,8H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde?
2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 88533439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).