1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine

C25H35NO — CID 126757457

IUPAC1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
SMILESCCC1CCC(Oc2ccc3cc(CN4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H35NO/c1-3-20-5-9-24(10-6-20)27-25-11-8-22-16-21(4-7-23(22)17-25)18-26-14-12-19(2)13-15-26/h4,7-8,11,16-17,19-20,24H,3,5-6,9-10,12-15,18H2,1-2H3
InChIKeyCYQFWZHNQHGMMF-UHFFFAOYSA-N
MW365.56 g/mol
LogP6.42
Rot. Bonds5

About 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine

1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine (PubChem CID 126757457) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
PubChem CID126757457
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
SMILESCCC1CCC(Oc2ccc3cc(CN4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H35NO/c1-3-20-5-9-24(10-6-20)27-25-11-8-22-16-21(4-7-23(22)17-25)18-26-14-12-19(2)13-15-26/h4,7-8,11,16-17,19-20,24H,3,5-6,9-10,12-15,18H2,1-2H3
InChIKeyCYQFWZHNQHGMMF-UHFFFAOYSA-N
XLogP6.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine (CID 126757457) is 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine is CCC1CCC(Oc2ccc3cc(CN4CCC(C)CC4)ccc3c2)CC1.
What is the InChIKey of 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine?
The InChIKey is CYQFWZHNQHGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-3-20-5-9-24(10-6-20)27-25-11-8-22-16-21(4-7-23(22)17-25)18-26-14-12-19(2)13-15-26/h4,7-8,11,16-17,19-20,24H,3,5-6,9-10,12-15,18H2,1-2H3.
What are the key properties of 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine?
1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine has a molecular weight of 365.56 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 126757457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).