1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid

C18H29NO2 — CID 43440764

IUPAC1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO2/c20-17(21)16-2-1-4-19(12-16)5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,20,21)
InChIKeyHBSHJHZJOIDFKU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds4

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

1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid (PubChem CID 43440764) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid
PubChem CID43440764
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO2/c20-17(21)16-2-1-4-19(12-16)5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,20,21)
InChIKeyHBSHJHZJOIDFKU-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid (CID 43440764) is 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is HBSHJHZJOIDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-17(21)16-2-1-4-19(12-16)5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,20,21).
What are the key properties of 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid?
1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 291.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).