2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine

C28H41NO2 — CID 159427397

IUPAC2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
SMILESCCCOCC1CCC(Oc2ccc3cc(CN4CCCCC4CC)ccc3c2)CC1
InChIInChI=1S/C28H41NO2/c1-3-17-30-21-22-9-13-27(14-10-22)31-28-15-12-24-18-23(8-11-25(24)19-28)20-29-16-6-5-7-26(29)4-2/h8,11-12,15,18-19,22,26-27H,3-7,9-10,13-14,16-17,20-21H2,1-2H3
InChIKeyLQNQRSYEDPDEOV-UHFFFAOYSA-N
MW423.64 g/mol
LogP6.97
Rot. Bonds9

About 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine

2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine (PubChem CID 159427397) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
PubChem CID159427397
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
SMILESCCCOCC1CCC(Oc2ccc3cc(CN4CCCCC4CC)ccc3c2)CC1
InChIInChI=1S/C28H41NO2/c1-3-17-30-21-22-9-13-27(14-10-22)31-28-15-12-24-18-23(8-11-25(24)19-28)20-29-16-6-5-7-26(29)4-2/h8,11-12,15,18-19,22,26-27H,3-7,9-10,13-14,16-17,20-21H2,1-2H3
InChIKeyLQNQRSYEDPDEOV-UHFFFAOYSA-N
XLogP6.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[6-[4-(methoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 141348697
1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
CID 126757457
3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine
CID 154133558
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine?
The IUPAC name of 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine (CID 159427397) is 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine.
What is the SMILES notation for 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine?
The canonical SMILES for 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine is CCCOCC1CCC(Oc2ccc3cc(CN4CCCCC4CC)ccc3c2)CC1.
What is the InChIKey of 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine?
The InChIKey is LQNQRSYEDPDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO2/c1-3-17-30-21-22-9-13-27(14-10-22)31-28-15-12-24-18-23(8-11-25(24)19-28)20-29-16-6-5-7-26(29)4-2/h8,11-12,15,18-19,22,26-27H,3-7,9-10,13-14,16-17,20-21H2,1-2H3.
What are the key properties of 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine?
2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine has a molecular weight of 423.64 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine is sourced from PubChem (CID 159427397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).