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

C32H48N2O2 — CID 158358128

IUPAC6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C32H48N2O2/c1-30(2)15-16-31(3,4)27-24-25(12-13-26(27)30)28-10-9-11-29(33-28)34-20-17-32(18-21-34,19-23-36)14-7-5-6-8-22-35/h9-13,24,35-36H,5-8,14-23H2,1-4H3
InChIKeyQFQFYMDYCDAVJN-UHFFFAOYSA-N
MW492.75 g/mol
LogP7.01
Rot. Bonds10

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

6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol (PubChem CID 158358128) has the molecular formula C32H48N2O2 and a molecular weight of 492.75 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol
PubChem CID158358128
Molecular FormulaC32H48N2O2
Molecular Weight492.75 g/mol
Exact Mass492.37
IUPAC Name6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C32H48N2O2/c1-30(2)15-16-31(3,4)27-24-25(12-13-26(27)30)28-10-9-11-29(33-28)34-20-17-32(18-21-34,19-23-36)14-7-5-6-8-22-35/h9-13,24,35-36H,5-8,14-23H2,1-4H3
InChIKeyQFQFYMDYCDAVJN-UHFFFAOYSA-N
XLogP7.01
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 57.01
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 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol?
The IUPAC name of 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol (CID 158358128) is 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21.
What is the InChIKey of 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol?
The InChIKey is QFQFYMDYCDAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O2/c1-30(2)15-16-31(3,4)27-24-25(12-13-26(27)30)28-10-9-11-29(33-28)34-20-17-32(18-21-34,19-23-36)14-7-5-6-8-22-35/h9-13,24,35-36H,5-8,14-23H2,1-4H3.
What are the key properties of 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol?
6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol has a molecular weight of 492.75 g/mol, XLogP of 7.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)-1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]hexan-1-ol is sourced from PubChem (CID 158358128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).