1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine

C28H41N3 — CID 123647225

IUPAC1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
SMILESCCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C28H41N3/c1-6-7-8-16-30-17-19-31(20-18-30)26-11-9-10-25(29-26)22-12-13-23-24(21-22)28(4,5)15-14-27(23,2)3/h9-13,21H,6-8,14-20H2,1-5H3
InChIKeyCMRCRMAFXMGMLD-UHFFFAOYSA-N
MW419.66 g/mol
LogP6.41
Rot. Bonds6

About 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine

1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine (PubChem CID 123647225) has the molecular formula C28H41N3 and a molecular weight of 419.66 g/mol. Its IUPAC name is 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
PubChem CID123647225
Molecular FormulaC28H41N3
Molecular Weight419.66 g/mol
Exact Mass419.33
IUPAC Name1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
SMILESCCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C28H41N3/c1-6-7-8-16-30-17-19-31(20-18-30)26-11-9-10-25(29-26)22-12-13-23-24(21-22)28(4,5)15-14-27(23,2)3/h9-13,21H,6-8,14-20H2,1-5H3
InChIKeyCMRCRMAFXMGMLD-UHFFFAOYSA-N
XLogP6.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.66
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine (CID 123647225) is 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine is CCCCCN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The InChIKey is CMRCRMAFXMGMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3/c1-6-7-8-16-30-17-19-31(20-18-30)26-11-9-10-25(29-26)22-12-13-23-24(21-22)28(4,5)15-14-27(23,2)3/h9-13,21H,6-8,14-20H2,1-5H3.
What are the key properties of 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine has a molecular weight of 419.66 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 123647225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).