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

C29H44N4O — CID 123656325

IUPAC2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCC(N)CO)CC4)n3)ccc21
InChIInChI=1S/C29H44N4O/c1-28(2)13-14-29(3,4)25-20-22(11-12-24(25)28)26-9-7-10-27(31-26)33-18-16-32(17-19-33)15-6-5-8-23(30)21-34/h7,9-12,20,23,34H,5-6,8,13-19,21,30H2,1-4H3
InChIKeyIFWMZQIDQGHZJT-UHFFFAOYSA-N
MW464.70 g/mol
LogP4.71
Rot. Bonds8

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

2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol (PubChem CID 123656325) has the molecular formula C29H44N4O and a molecular weight of 464.70 g/mol. Its IUPAC name is 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol
PubChem CID123656325
Molecular FormulaC29H44N4O
Molecular Weight464.70 g/mol
Exact Mass464.35
IUPAC Name2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCC(N)CO)CC4)n3)ccc21
InChIInChI=1S/C29H44N4O/c1-28(2)13-14-29(3,4)25-20-22(11-12-24(25)28)26-9-7-10-27(31-26)33-18-16-32(17-19-33)15-6-5-8-23(30)21-34/h7,9-12,20,23,34H,5-6,8,13-19,21,30H2,1-4H3
InChIKeyIFWMZQIDQGHZJT-UHFFFAOYSA-N
XLogP4.71
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol?
The IUPAC name of 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol (CID 123656325) is 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol.
What is the SMILES notation for 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol?
The canonical SMILES for 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCCC(N)CO)CC4)n3)ccc21.
What is the InChIKey of 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol?
The InChIKey is IFWMZQIDQGHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O/c1-28(2)13-14-29(3,4)25-20-22(11-12-24(25)28)26-9-7-10-27(31-26)33-18-16-32(17-19-33)15-6-5-8-23(30)21-34/h7,9-12,20,23,34H,5-6,8,13-19,21,30H2,1-4H3.
What are the key properties of 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol?
2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol has a molecular weight of 464.70 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]hexan-1-ol is sourced from PubChem (CID 123656325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).