1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane

C59H86N2O6 — CID 159452323

IUPAC1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane
SMILESC.CC(c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1)N1CCC(C(=O)O)CC1.CCOC(=O)C1CCN(C(C)c2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C30H43NO3.C28H39NO3.CH4/c1-6-33-29(32)22-15-17-31(18-16-22)21(2)23-7-8-25-20-28(12-9-24(25)19-23)34-27-13-10-26(11-14-27)30(3,4)5;1-19(29-15-13-20(14-16-29)27(30)31)21-5-6-23-18-26(10-7-22(23)17-21)32-25-11-8-24(9-12-25)28(2,3)4;/h7-9,12,19-22,26-27H,6,10-11,13-18H2,1-5H3;5-7,10,17-20,24-25H,8-9,11-16H2,1-4H3,(H,30,31);1H4
InChIKeyLTNOXHIMRILECB-UHFFFAOYSA-N
MW919.34 g/mol
LogP14.48
Rot. Bonds11

About 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane

1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane (PubChem CID 159452323) has the molecular formula C59H86N2O6 and a molecular weight of 919.34 g/mol. Its IUPAC name is 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane.

Molecular Properties

Compound Name1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane
PubChem CID159452323
Molecular FormulaC59H86N2O6
Molecular Weight919.34 g/mol
Exact Mass918.65
IUPAC Name1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane
SMILESC.CC(c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1)N1CCC(C(=O)O)CC1.CCOC(=O)C1CCN(C(C)c2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C30H43NO3.C28H39NO3.CH4/c1-6-33-29(32)22-15-17-31(18-16-22)21(2)23-7-8-25-20-28(12-9-24(25)19-23)34-27-13-10-26(11-14-27)30(3,4)5;1-19(29-15-13-20(14-16-29)27(30)31)21-5-6-23-18-26(10-7-22(23)17-21)32-25-11-8-24(9-12-25)28(2,3)4;/h7-9,12,19-22,26-27H,6,10-11,13-18H2,1-5H3;5-7,10,17-20,24-25H,8-9,11-16H2,1-4H3,(H,30,31);1H4
InChIKeyLTNOXHIMRILECB-UHFFFAOYSA-N
XLogP14.48
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.34
LogP ≤ 514.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane with MolForge

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Related Compounds

1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 158808959
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;ethyl 1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 158328113
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid;methane;methyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylate
CID 159481087
4-tert-butylcyclohexan-1-ol;methyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-2,2,2-trifluoroethyl]piperidine-4-carboxylate;methyl 1-[2,2,2-trifluoro-1-(6-hydroxynaphthalen-2-yl)ethyl]piperidine-4-carboxylate
CID 161360437
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
1-[2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]pyrrolidine-3-carboxylic acid
CID 70496927
lithium;ethyl 1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydroxide
CID 159998730
ethyl 1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 160684392
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
CID 73292615
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]cyclobutane-1-carboxylic acid
CID 70498486

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane?
The IUPAC name of 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane (CID 159452323) is 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane.
What is the SMILES notation for 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane?
The canonical SMILES for 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane is C.CC(c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1)N1CCC(C(=O)O)CC1.CCOC(=O)C1CCN(C(C)c2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1.
What is the InChIKey of 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane?
The InChIKey is LTNOXHIMRILECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO3.C28H39NO3.CH4/c1-6-33-29(32)22-15-17-31(18-16-22)21(2)23-7-8-25-20-28(12-9-24(25)19-23)34-27-13-10-26(11-14-27)30(3,4)5;1-19(29-15-13-20(14-16-29)27(30)31)21-5-6-23-18-26(10-7-22(23)17-21)32-25-11-8-24(9-12-25)28(2,3)4;/h7-9,12,19-22,26-27H,6,10-11,13-18H2,1-5H3;5-7,10,17-20,24-25H,8-9,11-16H2,1-4H3,(H,30,31);1H4.
What are the key properties of 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane?
1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane has a molecular weight of 919.34 g/mol, XLogP of 14.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane is sourced from PubChem (CID 159452323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).