(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol

C26H37N3O2 — CID 67247657

IUPAC(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O2/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(27-23)29-14-12-28(13-15-29)17-20(31)18-30/h5-9,16,20,30-31H,10-15,17-18H2,1-4H3/t20-/m1/s1
InChIKeySLWDTXVPUIVGAA-HXUWFJFHSA-N
MW423.60 g/mol
LogP3.57
Rot. Bonds5

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

(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol (PubChem CID 67247657) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol
PubChem CID67247657
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CO)CC4)n3)ccc21
InChIInChI=1S/C26H37N3O2/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(27-23)29-14-12-28(13-15-29)17-20(31)18-30/h5-9,16,20,30-31H,10-15,17-18H2,1-4H3/t20-/m1/s1
InChIKeySLWDTXVPUIVGAA-HXUWFJFHSA-N
XLogP3.57
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol (CID 67247657) is (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CO)CC4)n3)ccc21.
What is the InChIKey of (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol?
The InChIKey is SLWDTXVPUIVGAA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(27-23)29-14-12-28(13-15-29)17-20(31)18-30/h5-9,16,20,30-31H,10-15,17-18H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol?
(2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol has a molecular weight of 423.60 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propane-1,2-diol is sourced from PubChem (CID 67247657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).