3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol

C26H37N3O — CID 53250711

IUPAC3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O/c1-25(2)11-12-26(3,4)22-19-20(9-10-21(22)25)23-7-5-8-24(27-23)29-16-14-28(15-17-29)13-6-18-30/h5,7-10,19,30H,6,11-18H2,1-4H3
InChIKeyITCPVAVDRJPVOV-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.60
Rot. Bonds5

About 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol

3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol (PubChem CID 53250711) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol
PubChem CID53250711
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O/c1-25(2)11-12-26(3,4)22-19-20(9-10-21(22)25)23-7-5-8-24(27-23)29-16-14-28(15-17-29)13-6-18-30/h5,7-10,19,30H,6,11-18H2,1-4H3
InChIKeyITCPVAVDRJPVOV-UHFFFAOYSA-N
XLogP4.60
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol (CID 53250711) is 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCO)CC4)n3)ccc21.
What is the InChIKey of 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
The InChIKey is ITCPVAVDRJPVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-25(2)11-12-26(3,4)22-19-20(9-10-21(22)25)23-7-5-8-24(27-23)29-16-14-28(15-17-29)13-6-18-30/h5,7-10,19,30H,6,11-18H2,1-4H3.
What are the key properties of 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol has a molecular weight of 407.60 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 53250711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).