1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C17H28N2O2 — CID 23794291

IUPAC1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c20-6-5-18-1-3-19(4-2-18)16(21)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,20H,1-12H2
InChIKeyGKVJCGSAQQJJII-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.34
Rot. Bonds3

About 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 23794291) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID23794291
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c20-6-5-18-1-3-19(4-2-18)16(21)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,20H,1-12H2
InChIKeyGKVJCGSAQQJJII-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 23794291) is 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(N1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is GKVJCGSAQQJJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-6-5-18-1-3-19(4-2-18)16(21)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,20H,1-12H2.
What are the key properties of 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 292.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23794291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).