ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate

C26H35NO3 — CID 118347020

IUPACethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H35NO3/c1-3-29-26(28)21-12-14-27(15-13-21)18-20-6-7-23-17-25(11-8-22(23)16-20)30-24-9-4-19(2)5-10-24/h6-8,11,16-17,19,21,24H,3-5,9-10,12-15,18H2,1-2H3
InChIKeyLIDKGHJAIWDGIE-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.57
Rot. Bonds6

About ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 118347020) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
PubChem CID118347020
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC Nameethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H35NO3/c1-3-29-26(28)21-12-14-27(15-13-21)18-20-6-7-23-17-25(11-8-22(23)16-20)30-24-9-4-19(2)5-10-24/h6-8,11,16-17,19,21,24H,3-5,9-10,12-15,18H2,1-2H3
InChIKeyLIDKGHJAIWDGIE-UHFFFAOYSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183463
ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 77466388
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
[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
1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
CID 126757457
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethane;ethyl 1-[[5-methyl-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 144562321
ethyl 1-[[5-iodo-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 90051440
ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate
CID 146183475

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate (CID 118347020) is ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C)CC4)ccc3c2)CC1.
What is the InChIKey of ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is LIDKGHJAIWDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3/c1-3-29-26(28)21-12-14-27(15-13-21)18-20-6-7-23-17-25(11-8-22(23)16-20)30-24-9-4-19(2)5-10-24/h6-8,11,16-17,19,21,24H,3-5,9-10,12-15,18H2,1-2H3.
What are the key properties of ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 409.57 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 118347020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).