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]piperidin-4-amine

C47H64N6 — CID 67609486

IUPAC1-[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]piperidin-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C24H33N3.C23H31N3/c1-23(2)12-13-24(3,4)20-16-17(8-9-19(20)23)21-6-5-7-22(26-21)27-14-10-18(25)11-15-27;1-22(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/h5-9,16,18H,10-15,25H2,1-4H3;5-9,16,24H,10-15H2,1-4H3
InChIKeyFBSBVUUZKVAHGL-UHFFFAOYSA-N
MW713.07 g/mol
LogP9.53
Rot. Bonds4

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]piperidin-4-amine

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]piperidin-4-amine (PubChem CID 67609486) has the molecular formula C47H64N6 and a molecular weight of 713.07 g/mol. Its IUPAC name is 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]piperidin-4-amine.

Molecular Properties

Compound Name1-[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]piperidin-4-amine
PubChem CID67609486
Molecular FormulaC47H64N6
Molecular Weight713.07 g/mol
Exact Mass712.52
IUPAC Name1-[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]piperidin-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C24H33N3.C23H31N3/c1-23(2)12-13-24(3,4)20-16-17(8-9-19(20)23)21-6-5-7-22(26-21)27-14-10-18(25)11-15-27;1-22(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/h5-9,16,18H,10-15,25H2,1-4H3;5-9,16,24H,10-15H2,1-4H3
InChIKeyFBSBVUUZKVAHGL-UHFFFAOYSA-N
XLogP9.53
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.07
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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]piperidin-4-amine with MolForge

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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;1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name 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]piperidin-4-amine (CID 67609486) is 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]piperidin-4-amine.
What is the SMILES notation for 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]piperidin-4-amine?
The canonical SMILES for 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]piperidin-4-amine is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N)CC4)n3)ccc21.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;1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is FBSBVUUZKVAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3.C23H31N3/c1-23(2)12-13-24(3,4)20-16-17(8-9-19(20)23)21-6-5-7-22(26-21)27-14-10-18(25)11-15-27;1-22(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/h5-9,16,18H,10-15,25H2,1-4H3;5-9,16,24H,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]piperidin-4-amine?
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]piperidin-4-amine has a molecular weight of 713.07 g/mol, XLogP of 9.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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;1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 67609486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).