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

C26H38N4O — CID 67247708

IUPAC(2S)-2-amino-3-[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(C[C@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H38N4O/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(28-23)30-14-12-29(13-15-30)17-20(27)18-31/h5-9,16,20,31H,10-15,17-18,27H2,1-4H3/t20-/m0/s1
InChIKeyHYPPBCJOHRNRAR-FQEVSTJZSA-N
MW422.62 g/mol
LogP3.54
Rot. Bonds5

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

(2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol (PubChem CID 67247708) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol
PubChem CID67247708
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC Name(2S)-2-amino-3-[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(C[C@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H38N4O/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(28-23)30-14-12-29(13-15-30)17-20(27)18-31/h5-9,16,20,31H,10-15,17-18,27H2,1-4H3/t20-/m0/s1
InChIKeyHYPPBCJOHRNRAR-FQEVSTJZSA-N
XLogP3.54
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-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 (2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol (CID 67247708) is (2S)-2-amino-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 (2S)-2-amino-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 (2S)-2-amino-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(C[C@H](N)CO)CC4)n3)ccc21.
What is the InChIKey of (2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
The InChIKey is HYPPBCJOHRNRAR-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H38N4O/c1-25(2)10-11-26(3,4)22-16-19(8-9-21(22)25)23-6-5-7-24(28-23)30-14-12-29(13-15-30)17-20(27)18-31/h5-9,16,20,31H,10-15,17-18,27H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propan-1-ol?
(2S)-2-amino-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 422.62 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-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 67247708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).