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

C60H71LiN2O7 — CID 159998730

IUPAClithium;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
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.[Li+].[OH-]
InChIInChI=1S/C31H37NO3.C29H33NO3.Li.H2O/c1-2-34-31(33)26-16-18-32(19-17-26)22-23-8-9-28-21-30(15-12-27(28)20-23)35-29-13-10-25(11-14-29)24-6-4-3-5-7-24;31-29(32)24-14-16-30(17-15-24)20-21-6-7-26-19-28(13-10-25(26)18-21)33-27-11-8-23(9-12-27)22-4-2-1-3-5-22;;/h3-9,12,15,20-21,25-26,29H,2,10-11,13-14,16-19,22H2,1H3;1-7,10,13,18-19,23-24,27H,8-9,11-12,14-17,20H2,(H,31,32);;1H2/q;;+1;/p-1
InChIKeyOHWSJDXQFYDJKY-UHFFFAOYSA-M
MW939.18 g/mol
LogP9.79
Rot. Bonds13

About 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

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 (PubChem CID 159998730) has the molecular formula C60H71LiN2O7 and a molecular weight of 939.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID159998730
Molecular FormulaC60H71LiN2O7
Molecular Weight939.18 g/mol
Exact Mass938.54
IUPAC Namelithium;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
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.[Li+].[OH-]
InChIInChI=1S/C31H37NO3.C29H33NO3.Li.H2O/c1-2-34-31(33)26-16-18-32(19-17-26)22-23-8-9-28-21-30(15-12-27(28)20-23)35-29-13-10-25(11-14-29)24-6-4-3-5-7-24;31-29(32)24-14-16-30(17-15-24)20-21-6-7-26-19-28(13-10-25(26)18-21)33-27-11-8-23(9-12-27)22-4-2-1-3-5-22;;/h3-9,12,15,20-21,25-26,29H,2,10-11,13-14,16-19,22H2,1H3;1-7,10,13,18-19,23-24,27H,8-9,11-12,14-17,20H2,(H,31,32);;1H2/q;;+1;/p-1
InChIKeyOHWSJDXQFYDJKY-UHFFFAOYSA-M
XLogP9.79
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.18
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
ethyl 1-[[6-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183463
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
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
ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 77466388
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
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 1-[(5-heptoxynaphthalen-2-yl)methyl]piperidine-4-carboxylate;1-[(5-heptoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
CID 159731859

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)CC1.[Li+].[OH-].
What is the InChIKey of 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?
The InChIKey is OHWSJDXQFYDJKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H37NO3.C29H33NO3.Li.H2O/c1-2-34-31(33)26-16-18-32(19-17-26)22-23-8-9-28-21-30(15-12-27(28)20-23)35-29-13-10-25(11-14-29)24-6-4-3-5-7-24;31-29(32)24-14-16-30(17-15-24)20-21-6-7-26-19-28(13-10-25(26)18-21)33-27-11-8-23(9-12-27)22-4-2-1-3-5-22;;/h3-9,12,15,20-21,25-26,29H,2,10-11,13-14,16-19,22H2,1H3;1-7,10,13,18-19,23-24,27H,8-9,11-12,14-17,20H2,(H,31,32);;1H2/q;;+1;/p-1.
What are the key properties of 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?
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 has a molecular weight of 939.18 g/mol, XLogP of 9.79, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159998730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).