tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate

C26H38N4O2 — CID 67324522

IUPACtert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nn2)CC1
InChIInChI=1S/C26H38N4O2/c1-24(2,3)32-23(31)29-14-10-19(11-15-29)30-17-22(27-28-30)18-8-9-20-21(16-18)26(6,7)13-12-25(20,4)5/h8-9,16-17,19H,10-15H2,1-7H3
InChIKeyXYXTYAMUKSOPDP-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.87
Rot. Bonds2

About tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate (PubChem CID 67324522) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
PubChem CID67324522
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Nametert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nn2)CC1
InChIInChI=1S/C26H38N4O2/c1-24(2,3)32-23(31)29-14-10-19(11-15-29)30-17-22(27-28-30)18-8-9-20-21(16-18)26(6,7)13-12-25(20,4)5/h8-9,16-17,19H,10-15H2,1-7H3
InChIKeyXYXTYAMUKSOPDP-UHFFFAOYSA-N
XLogP5.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol
CID 67322961
tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
CID 164553855
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
tert-butyl 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylate
CID 67249256
4-O-[[amino-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]amino] 1-O-tert-butyl piperidine-1,4-dicarboxylate
CID 123193350
3-amino-6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazol-4-yl]pyrazine-2-carboxylic acid
CID 163221928
tert-butyl 4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 67388898
tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate
CID 45107901
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 3-(4-formyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121208717

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate (CID 67324522) is tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nn2)CC1.
What is the InChIKey of tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate?
The InChIKey is XYXTYAMUKSOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-24(2,3)32-23(31)29-14-10-19(11-15-29)30-17-22(27-28-30)18-8-9-20-21(16-18)26(6,7)13-12-25(20,4)5/h8-9,16-17,19H,10-15H2,1-7H3.
What are the key properties of tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate has a molecular weight of 438.62 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67324522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).