1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine

C23H31N3 — CID 53250560

IUPAC1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C23H31N3/c1-22(2)10-11-23(3,4)19-16-17(8-9-18(19)22)20-6-5-7-21(25-20)26-14-12-24-13-15-26/h5-9,16,24H,10-15H2,1-4H3
InChIKeyDNKGYHGJXKAMNR-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.51
Rot. Bonds2

About 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine

1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine (PubChem CID 53250560) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
PubChem CID53250560
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C23H31N3/c1-22(2)10-11-23(3,4)19-16-17(8-9-18(19)22)20-6-5-7-21(25-20)26-14-12-24-13-15-26/h5-9,16,24H,10-15H2,1-4H3
InChIKeyDNKGYHGJXKAMNR-UHFFFAOYSA-N
XLogP4.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine (CID 53250560) is 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21.
What is the InChIKey of 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
The InChIKey is DNKGYHGJXKAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-22(2)10-11-23(3,4)19-16-17(8-9-18(19)22)20-6-5-7-21(25-20)26-14-12-24-13-15-26/h5-9,16,24H,10-15H2,1-4H3.
What are the key properties of 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine?
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine has a molecular weight of 349.52 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 53250560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).