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

C29H43N3O — CID 53250408

IUPAC5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C29H43N3O/c1-28(2)15-16-29(3,4)25-21-22(11-12-24(25)28)26-9-8-10-27(31-26)32-18-13-23(14-19-32)30-17-6-5-7-20-33/h8-12,21,23,30,33H,5-7,13-20H2,1-4H3
InChIKeyQHXFSPKQCSVFEX-UHFFFAOYSA-N
MW449.68 g/mol
LogP5.82
Rot. Bonds8

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

5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol (PubChem CID 53250408) has the molecular formula C29H43N3O and a molecular weight of 449.68 g/mol. Its IUPAC name is 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol
PubChem CID53250408
Molecular FormulaC29H43N3O
Molecular Weight449.68 g/mol
Exact Mass449.34
IUPAC Name5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C29H43N3O/c1-28(2)15-16-29(3,4)25-21-22(11-12-24(25)28)26-9-8-10-27(31-26)32-18-13-23(14-19-32)30-17-6-5-7-20-33/h8-12,21,23,30,33H,5-7,13-20H2,1-4H3
InChIKeyQHXFSPKQCSVFEX-UHFFFAOYSA-N
XLogP5.82
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 55.82
H-Bond Donors ≤ 52
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-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol (CID 53250408) is 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCO)CC4)n3)ccc21.
What is the InChIKey of 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol?
The InChIKey is QHXFSPKQCSVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O/c1-28(2)15-16-29(3,4)25-21-22(11-12-24(25)28)26-9-8-10-27(31-26)32-18-13-23(14-19-32)30-17-6-5-7-20-33/h8-12,21,23,30,33H,5-7,13-20H2,1-4H3.
What are the key properties of 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol?
5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol has a molecular weight of 449.68 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 53250408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).