5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol

C54H77N7O2 — CID 123200556

IUPAC5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol
SMILESCOC(C(O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1)C(CN(C)C)N1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C54H77N7O2/c1-51(2)22-24-53(5,6)42-34-38(18-20-40(42)51)44-14-12-16-48(55-44)60-28-26-58(27-29-60)37-47(62)50(63-11)46(36-57(9)10)59-30-32-61(33-31-59)49-17-13-15-45(56-49)39-19-21-41-43(35-39)54(7,8)25-23-52(41,3)4/h12-21,34-35,46-47,50,62H,22-33,36-37H2,1-11H3
InChIKeyQRESTAHCDMEIAH-UHFFFAOYSA-N
MW856.26 g/mol
LogP8.76
Rot. Bonds12

About 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol

5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol (PubChem CID 123200556) has the molecular formula C54H77N7O2 and a molecular weight of 856.26 g/mol. Its IUPAC name is 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol
PubChem CID123200556
Molecular FormulaC54H77N7O2
Molecular Weight856.26 g/mol
Exact Mass855.61
IUPAC Name5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol
SMILESCOC(C(O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1)C(CN(C)C)N1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C54H77N7O2/c1-51(2)22-24-53(5,6)42-34-38(18-20-40(42)51)44-14-12-16-48(55-44)60-28-26-58(27-29-60)37-47(62)50(63-11)46(36-57(9)10)59-30-32-61(33-31-59)49-17-13-15-45(56-49)39-19-21-41-43(35-39)54(7,8)25-23-52(41,3)4/h12-21,34-35,46-47,50,62H,22-33,36-37H2,1-11H3
InChIKeyQRESTAHCDMEIAH-UHFFFAOYSA-N
XLogP8.76
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.26
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol?
The IUPAC name of 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol (CID 123200556) is 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol is COC(C(O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1)C(CN(C)C)N1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol?
The InChIKey is QRESTAHCDMEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H77N7O2/c1-51(2)22-24-53(5,6)42-34-38(18-20-40(42)51)44-14-12-16-48(55-44)60-28-26-58(27-29-60)37-47(62)50(63-11)46(36-57(9)10)59-30-32-61(33-31-59)49-17-13-15-45(56-49)39-19-21-41-43(35-39)54(7,8)25-23-52(41,3)4/h12-21,34-35,46-47,50,62H,22-33,36-37H2,1-11H3.
What are the key properties of 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol?
5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol has a molecular weight of 856.26 g/mol, XLogP of 8.76, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-methoxy-1,4-bis[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 123200556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).