4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol

C26H37N3O — CID 53250708

IUPAC4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
SMILESCC1(C)CC(C)(C)c2cc(-c3cccc(N4CCN(CCCCO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O/c1-25(2)19-26(3,4)22-18-20(10-11-21(22)25)23-8-7-9-24(27-23)29-15-13-28(14-16-29)12-5-6-17-30/h7-11,18,30H,5-6,12-17,19H2,1-4H3
InChIKeyUVNSTUQHUUKLHB-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.60
Rot. Bonds6

About 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol

4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol (PubChem CID 53250708) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
PubChem CID53250708
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
SMILESCC1(C)CC(C)(C)c2cc(-c3cccc(N4CCN(CCCCO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O/c1-25(2)19-26(3,4)22-18-20(10-11-21(22)25)23-8-7-9-24(27-23)29-15-13-28(14-16-29)12-5-6-17-30/h7-11,18,30H,5-6,12-17,19H2,1-4H3
InChIKeyUVNSTUQHUUKLHB-UHFFFAOYSA-N
XLogP4.60
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
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 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol (CID 53250708) is 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol is CC1(C)CC(C)(C)c2cc(-c3cccc(N4CCN(CCCCO)CC4)n3)ccc21.
What is the InChIKey of 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol?
The InChIKey is UVNSTUQHUUKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-25(2)19-26(3,4)22-18-20(10-11-21(22)25)23-8-7-9-24(27-23)29-15-13-28(14-16-29)12-5-6-17-30/h7-11,18,30H,5-6,12-17,19H2,1-4H3.
What are the key properties of 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol?
4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol has a molecular weight of 407.60 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 53250708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).