1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine

C23H37N3 — CID 174658500

IUPAC1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine
SMILESCC1(C)CCC(C)(C)C2CC(c3cncc(N4CCNCC4)c3)CCC21
InChIInChI=1S/C23H37N3/c1-22(2)7-8-23(3,4)21-14-17(5-6-20(21)22)18-13-19(16-25-15-18)26-11-9-24-10-12-26/h13,15-17,20-21,24H,5-12,14H2,1-4H3
InChIKeyWNMWQUWZTIVAOF-UHFFFAOYSA-N
MW355.57 g/mol
LogP4.84
Rot. Bonds2

About 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine

1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine (PubChem CID 174658500) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine
PubChem CID174658500
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC Name1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine
SMILESCC1(C)CCC(C)(C)C2CC(c3cncc(N4CCNCC4)c3)CCC21
InChIInChI=1S/C23H37N3/c1-22(2)7-8-23(3,4)21-14-17(5-6-20(21)22)18-13-19(16-25-15-18)26-11-9-24-10-12-26/h13,15-17,20-21,24H,5-12,14H2,1-4H3
InChIKeyWNMWQUWZTIVAOF-UHFFFAOYSA-N
XLogP4.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine?
The IUPAC name of 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine (CID 174658500) is 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine is CC1(C)CCC(C)(C)C2CC(c3cncc(N4CCNCC4)c3)CCC21.
What is the InChIKey of 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine?
The InChIKey is WNMWQUWZTIVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3/c1-22(2)7-8-23(3,4)21-14-17(5-6-20(21)22)18-13-19(16-25-15-18)26-11-9-24-10-12-26/h13,15-17,20-21,24H,5-12,14H2,1-4H3.
What are the key properties of 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine?
1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine has a molecular weight of 355.57 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine is sourced from PubChem (CID 174658500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).