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

C30H45N3O — CID 53251218

IUPAC6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C30H45N3O/c1-29(2)16-17-30(3,4)26-22-23(12-13-25(26)29)27-10-9-11-28(32-27)33-19-14-24(15-20-33)31-18-7-5-6-8-21-34/h9-13,22,24,31,34H,5-8,14-21H2,1-4H3
InChIKeyPHEXCTVDOXHKNS-UHFFFAOYSA-N
MW463.71 g/mol
LogP6.21
Rot. Bonds9

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

6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol (PubChem CID 53251218) has the molecular formula C30H45N3O and a molecular weight of 463.71 g/mol. Its IUPAC name is 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol
PubChem CID53251218
Molecular FormulaC30H45N3O
Molecular Weight463.71 g/mol
Exact Mass463.36
IUPAC Name6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C30H45N3O/c1-29(2)16-17-30(3,4)26-22-23(12-13-25(26)29)27-10-9-11-28(32-27)33-19-14-24(15-20-33)31-18-7-5-6-8-21-34/h9-13,22,24,31,34H,5-8,14-21H2,1-4H3
InChIKeyPHEXCTVDOXHKNS-UHFFFAOYSA-N
XLogP6.21
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.71
LogP ≤ 56.21
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-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol (CID 53251218) is 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCCCO)CC4)n3)ccc21.
What is the InChIKey of 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol?
The InChIKey is PHEXCTVDOXHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O/c1-29(2)16-17-30(3,4)26-22-23(12-13-25(26)29)27-10-9-11-28(32-27)33-19-14-24(15-20-33)31-18-7-5-6-8-21-34/h9-13,22,24,31,34H,5-8,14-21H2,1-4H3.
What are the key properties of 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol?
6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol has a molecular weight of 463.71 g/mol, XLogP of 6.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 53251218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).