perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine

C40H53ClF6N4O6 — CID 57333733

IUPACperchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine
SMILESCC1(C)[C@H]2C[C@@H]3N(Cc4ccc(C(F)(F)F)cc4)[C@@H]4C[C@H](N2Cc2ccc(C(F)(F)F)cc2)[C@]1(CN1CCOCC1)[C@@]3(CN1CCOCC1)C4(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C40H52F6N4O2.ClHO4/c1-35(2)31-21-34-38(26-48-15-19-52-20-16-48)36(3,4)32(50(34)24-28-7-11-30(12-8-28)40(44,45)46)22-33(37(35,38)25-47-13-17-51-18-14-47)49(31)23-27-5-9-29(10-6-27)39(41,42)43;2-1(3,4)5/h5-12,31-34H,13-26H2,1-4H3;(H,2,3,4,5)/t31-,32-,33+,34+,37-,38+;/m1./s1
InChIKeyGIHQBQAMKZJLKS-VIUAMFLPSA-N
MW835.33 g/mol
LogP2.90
Rot. Bonds8

About perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine

perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine (PubChem CID 57333733) has the molecular formula C40H53ClF6N4O6 and a molecular weight of 835.33 g/mol. Its IUPAC name is perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine.

Molecular Properties

Compound Nameperchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine
PubChem CID57333733
Molecular FormulaC40H53ClF6N4O6
Molecular Weight835.33 g/mol
Exact Mass834.36
IUPAC Nameperchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine
SMILESCC1(C)[C@H]2C[C@@H]3N(Cc4ccc(C(F)(F)F)cc4)[C@@H]4C[C@H](N2Cc2ccc(C(F)(F)F)cc2)[C@]1(CN1CCOCC1)[C@@]3(CN1CCOCC1)C4(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C40H52F6N4O2.ClHO4/c1-35(2)31-21-34-38(26-48-15-19-52-20-16-48)36(3,4)32(50(34)24-28-7-11-30(12-8-28)40(44,45)46)22-33(37(35,38)25-47-13-17-51-18-14-47)49(31)23-27-5-9-29(10-6-27)39(41,42)43;2-1(3,4)5/h5-12,31-34H,13-26H2,1-4H3;(H,2,3,4,5)/t31-,32-,33+,34+,37-,38+;/m1./s1
InChIKeyGIHQBQAMKZJLKS-VIUAMFLPSA-N
XLogP2.90
TPSA120.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500835.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine with MolForge

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Related Compounds

4-[[(1R,3S,5R,7S,8S,9R)-2,6-bis[(4-fluorophenyl)methyl]-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine
CID 57333308
4-[[2,6-bis[(4-methoxyphenyl)methyl]-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine
CID 76514062
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyran-4-one
CID 139559645
N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 172902079
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018

Frequently Asked Questions

What is the IUPAC name of perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine?
The IUPAC name of perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine (CID 57333733) is perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine.
What is the SMILES notation for perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine?
The canonical SMILES for perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine is CC1(C)[C@H]2C[C@@H]3N(Cc4ccc(C(F)(F)F)cc4)[C@@H]4C[C@H](N2Cc2ccc(C(F)(F)F)cc2)[C@]1(CN1CCOCC1)[C@@]3(CN1CCOCC1)C4(C)C.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine?
The InChIKey is GIHQBQAMKZJLKS-VIUAMFLPSA-N. The full InChI is InChI=1S/C40H52F6N4O2.ClHO4/c1-35(2)31-21-34-38(26-48-15-19-52-20-16-48)36(3,4)32(50(34)24-28-7-11-30(12-8-28)40(44,45)46)22-33(37(35,38)25-47-13-17-51-18-14-47)49(31)23-27-5-9-29(10-6-27)39(41,42)43;2-1(3,4)5/h5-12,31-34H,13-26H2,1-4H3;(H,2,3,4,5)/t31-,32-,33+,34+,37-,38+;/m1./s1.
What are the key properties of perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine?
perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine has a molecular weight of 835.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;4-[[(1R,3S,5R,7S,8S,9R)-10,10,12,12-tetramethyl-9-(morpholin-4-ylmethyl)-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-2,6-diazatetracyclo[5.3.1.15,8.03,9]dodecan-8-yl]methyl]morpholine is sourced from PubChem (CID 57333733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).