1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine

C20H29N3 — CID 10781362

IUPAC1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(C34CC5CC(CC(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29N3/c1-22-5-7-23(8-6-22)19-4-2-3-18(21-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h2-4,15-17H,5-14H2,1H3
InChIKeyCRBZZBTTWZRNMO-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.30
Rot. Bonds2

About 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine

1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine (PubChem CID 10781362) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine
PubChem CID10781362
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(C34CC5CC(CC(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29N3/c1-22-5-7-23(8-6-22)19-4-2-3-18(21-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h2-4,15-17H,5-14H2,1H3
InChIKeyCRBZZBTTWZRNMO-UHFFFAOYSA-N
XLogP3.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine (CID 10781362) is 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine is CN1CCN(c2cccc(C34CC5CC(CC(C5)C3)C4)n2)CC1.
What is the InChIKey of 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine?
The InChIKey is CRBZZBTTWZRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-22-5-7-23(8-6-22)19-4-2-3-18(21-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h2-4,15-17H,5-14H2,1H3.
What are the key properties of 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine?
1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine has a molecular weight of 311.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-adamantyl)-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 10781362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).