2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid

C17H27NO3 — CID 23008832

IUPAC2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(N1CCCCC1)C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c19-16(20)15(18-4-2-1-3-5-18)17(21)13-7-11-6-12(9-13)10-14(17)8-11/h11-15,21H,1-10H2,(H,19,20)
InChIKeyKKIIHQZCMATAAK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid

2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid (PubChem CID 23008832) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid
PubChem CID23008832
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(N1CCCCC1)C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c19-16(20)15(18-4-2-1-3-5-18)17(21)13-7-11-6-12(9-13)10-14(17)8-11/h11-15,21H,1-10H2,(H,19,20)
InChIKeyKKIIHQZCMATAAK-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid (CID 23008832) is 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid is O=C(O)C(N1CCCCC1)C1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid?
The InChIKey is KKIIHQZCMATAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-16(20)15(18-4-2-1-3-5-18)17(21)13-7-11-6-12(9-13)10-14(17)8-11/h11-15,21H,1-10H2,(H,19,20).
What are the key properties of 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid?
2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid has a molecular weight of 293.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 23008832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).