1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid

C27H37NO3 — CID 73292615

IUPAC1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(Oc2ccc3c(CN4CCC(C(=O)O)CC4)cccc3c2)CC1
InChIInChI=1S/C27H37NO3/c1-27(2,3)22-7-9-23(10-8-22)31-24-11-12-25-20(17-24)5-4-6-21(25)18-28-15-13-19(14-16-28)26(29)30/h4-6,11-12,17,19,22-23H,7-10,13-16,18H2,1-3H3,(H,29,30)
InChIKeyQYDOGRLVVGUHJP-UHFFFAOYSA-N
MW423.60 g/mol
LogP6.12
Rot. Bonds5

About 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid

1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 73292615) has the molecular formula C27H37NO3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
PubChem CID73292615
Molecular FormulaC27H37NO3
Molecular Weight423.60 g/mol
Exact Mass423.28
IUPAC Name1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(Oc2ccc3c(CN4CCC(C(=O)O)CC4)cccc3c2)CC1
InChIInChI=1S/C27H37NO3/c1-27(2,3)22-7-9-23(10-8-22)31-24-11-12-25-20(17-24)5-4-6-21(25)18-28-15-13-19(14-16-28)26(29)30/h4-6,11-12,17,19,22-23H,7-10,13-16,18H2,1-3H3,(H,29,30)
InChIKeyQYDOGRLVVGUHJP-UHFFFAOYSA-N
XLogP6.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]pyrrolidine-3-carboxylic acid
CID 70496927
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
[1-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 122471506
1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid
CID 172739912
[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-ethylpiperidin-4-yl] hydrogen carbonate
CID 122471514
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
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]cyclobutane-1-carboxylic acid
CID 70498486
1-[[6-(4-tert-butylcyclohexyl)oxy-4-cyclopropylquinolin-2-yl]methyl]azetidine-3-carboxylic acid
CID 70497455
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 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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid (CID 73292615) is 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid is CC(C)(C)C1CCC(Oc2ccc3c(CN4CCC(C(=O)O)CC4)cccc3c2)CC1.
What is the InChIKey of 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is QYDOGRLVVGUHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO3/c1-27(2,3)22-7-9-23(10-8-22)31-24-11-12-25-20(17-24)5-4-6-21(25)18-28-15-13-19(14-16-28)26(29)30/h4-6,11-12,17,19,22-23H,7-10,13-16,18H2,1-3H3,(H,29,30).
What are the key properties of 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid?
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 423.60 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 73292615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).