1-(1-adamantyl)-2-propan-2-ylpiperazine

C17H30N2 — CID 64937846

IUPAC1-(1-adamantyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2/c1-12(2)16-11-18-3-4-19(16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,3-11H2,1-2H3
InChIKeyDZCCZSUJCQLFNI-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.88
Rot. Bonds2

About 1-(1-adamantyl)-2-propan-2-ylpiperazine

1-(1-adamantyl)-2-propan-2-ylpiperazine (PubChem CID 64937846) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-propan-2-ylpiperazine
PubChem CID64937846
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(1-adamantyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2/c1-12(2)16-11-18-3-4-19(16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,3-11H2,1-2H3
InChIKeyDZCCZSUJCQLFNI-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(1-adamantyl)-2-propan-2-ylpiperazine (CID 64937846) is 1-(1-adamantyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-adamantyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-adamantyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-propan-2-ylpiperazine?
The InChIKey is DZCCZSUJCQLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)16-11-18-3-4-19(16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-propan-2-ylpiperazine?
1-(1-adamantyl)-2-propan-2-ylpiperazine has a molecular weight of 262.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).