5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol

C28H41N3O — CID 53250264

IUPAC5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCCO)CC4)n3)ccc21
InChIInChI=1S/C28H41N3O/c1-27(2)13-14-28(3,4)24-21-22(11-12-23(24)27)25-9-8-10-26(29-25)31-18-16-30(17-19-31)15-6-5-7-20-32/h8-12,21,32H,5-7,13-20H2,1-4H3
InChIKeyQRZHYTLVTGZENC-UHFFFAOYSA-N
MW435.66 g/mol
LogP5.38
Rot. Bonds7

About 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol

5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol (PubChem CID 53250264) has the molecular formula C28H41N3O and a molecular weight of 435.66 g/mol. Its IUPAC name is 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol
PubChem CID53250264
Molecular FormulaC28H41N3O
Molecular Weight435.66 g/mol
Exact Mass435.32
IUPAC Name5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCCO)CC4)n3)ccc21
InChIInChI=1S/C28H41N3O/c1-27(2)13-14-28(3,4)24-21-22(11-12-23(24)27)25-9-8-10-26(29-25)31-18-16-30(17-19-31)15-6-5-7-20-32/h8-12,21,32H,5-7,13-20H2,1-4H3
InChIKeyQRZHYTLVTGZENC-UHFFFAOYSA-N
XLogP5.38
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol (CID 53250264) is 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCCO)CC4)n3)ccc21.
What is the InChIKey of 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol?
The InChIKey is QRZHYTLVTGZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O/c1-27(2)13-14-28(3,4)24-21-22(11-12-23(24)27)25-9-8-10-26(29-25)31-18-16-30(17-19-31)15-6-5-7-20-32/h8-12,21,32H,5-7,13-20H2,1-4H3.
What are the key properties of 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol?
5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol has a molecular weight of 435.66 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 53250264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).