tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate

C30H49N3O4 — CID 59769456

IUPACtert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate
SMILESCCC1(CC)CCC(c2cc(N3CCOCC3)c(OC)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C30H49N3O4/c1-7-30(8-2)11-9-23(10-12-30)24-21-26(32-17-19-36-20-18-32)27(35-6)22-25(24)31-13-15-33(16-14-31)28(34)37-29(3,4)5/h21-23H,7-20H2,1-6H3
InChIKeyUFNBCPMCXNNZDA-UHFFFAOYSA-N
MW515.74 g/mol
LogP6.05
Rot. Bonds6

About tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate (PubChem CID 59769456) has the molecular formula C30H49N3O4 and a molecular weight of 515.74 g/mol. Its IUPAC name is tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate
PubChem CID59769456
Molecular FormulaC30H49N3O4
Molecular Weight515.74 g/mol
Exact Mass515.37
IUPAC Nametert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate
SMILESCCC1(CC)CCC(c2cc(N3CCOCC3)c(OC)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C30H49N3O4/c1-7-30(8-2)11-9-23(10-12-30)24-21-26(32-17-19-36-20-18-32)27(35-6)22-25(24)31-13-15-33(16-14-31)28(34)37-29(3,4)5/h21-23H,7-20H2,1-6H3
InChIKeyUFNBCPMCXNNZDA-UHFFFAOYSA-N
XLogP6.05
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769421
tert-butyl (3R)-1-ethyl-8-methoxy-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate
CID 23558898
tert-butyl 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769418
tert-butyl 4-[5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
CID 166461747
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine;hydrochloride
CID 23142600
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
1-[2-(4,4-diethylcyclohexyl)-5-methoxyphenyl]-4-(oxan-4-ylmethyl)piperazine;hydrochloride
CID 23142414
tert-butyl 4-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 68976025
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate (CID 59769456) is tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate is CCC1(CC)CCC(c2cc(N3CCOCC3)c(OC)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate?
The InChIKey is UFNBCPMCXNNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O4/c1-7-30(8-2)11-9-23(10-12-30)24-21-26(32-17-19-36-20-18-32)27(35-6)22-25(24)31-13-15-33(16-14-31)28(34)37-29(3,4)5/h21-23H,7-20H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate has a molecular weight of 515.74 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylate is sourced from PubChem (CID 59769456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).