1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde

C18H29NO — CID 63510161

IUPAC1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO/c20-13-14-2-1-4-19(12-14)5-3-18-9-15-6-16(10-18)8-17(7-15)11-18/h13-17H,1-12H2
InChIKeyZCJSGUFZPPCSJP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde

1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde (PubChem CID 63510161) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
PubChem CID63510161
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO/c20-13-14-2-1-4-19(12-14)5-3-18-9-15-6-16(10-18)8-17(7-15)11-18/h13-17H,1-12H2
InChIKeyZCJSGUFZPPCSJP-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.50
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 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde (CID 63510161) is 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde is O=CC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde?
The InChIKey is ZCJSGUFZPPCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-13-14-2-1-4-19(12-14)5-3-18-9-15-6-16(10-18)8-17(7-15)11-18/h13-17H,1-12H2.
What are the key properties of 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde?
1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde has a molecular weight of 275.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 63510161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).