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

C32H50N4O — CID 67248440

IUPAC4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCN)CCCCO)CC4)n3)ccc21
InChIInChI=1S/C32H50N4O/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(34-29)36-21-14-26(15-22-36)35(19-6-5-18-33)20-7-8-23-37/h9-13,24,26,37H,5-8,14-23,33H2,1-4H3
InChIKeyUJWYXKOEWRTGRN-UHFFFAOYSA-N
MW506.78 g/mol
LogP5.88
Rot. Bonds11

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

4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol (PubChem CID 67248440) has the molecular formula C32H50N4O and a molecular weight of 506.78 g/mol. Its IUPAC name is 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol
PubChem CID67248440
Molecular FormulaC32H50N4O
Molecular Weight506.78 g/mol
Exact Mass506.40
IUPAC Name4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCN)CCCCO)CC4)n3)ccc21
InChIInChI=1S/C32H50N4O/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(34-29)36-21-14-26(15-22-36)35(19-6-5-18-33)20-7-8-23-37/h9-13,24,26,37H,5-8,14-23,33H2,1-4H3
InChIKeyUJWYXKOEWRTGRN-UHFFFAOYSA-N
XLogP5.88
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 55.88
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 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol (CID 67248440) is 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCN)CCCCO)CC4)n3)ccc21.
What is the InChIKey of 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol?
The InChIKey is UJWYXKOEWRTGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O/c1-31(2)16-17-32(3,4)28-24-25(12-13-27(28)31)29-10-9-11-30(34-29)36-21-14-26(15-22-36)35(19-6-5-18-33)20-7-8-23-37/h9-13,24,26,37H,5-8,14-23,33H2,1-4H3.
What are the key properties of 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol?
4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol has a molecular weight of 506.78 g/mol, XLogP of 5.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-aminobutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 67248440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).