[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium

C19H24NO3+ — CID 140661185

IUPAC[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
SMILESCCOC(=O)C1CCN(Cc2ccc3cc([OH2+])ccc3c2)CC1
InChIInChI=1S/C19H23NO3/c1-2-23-19(22)15-7-9-20(10-8-15)13-14-3-4-17-12-18(21)6-5-16(17)11-14/h3-6,11-12,15,21H,2,7-10,13H2,1H3/p+1
InChIKeyZHYQNKOGBGHSQI-UHFFFAOYSA-O
MW314.41 g/mol
LogP3.05
Rot. Bonds4

About [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium

[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium (PubChem CID 140661185) has the molecular formula C19H24NO3+ and a molecular weight of 314.41 g/mol. Its IUPAC name is [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium.

Molecular Properties

Compound Name[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
PubChem CID140661185
Molecular FormulaC19H24NO3+
Molecular Weight314.41 g/mol
Exact Mass314.18
IUPAC Name[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
SMILESCCOC(=O)C1CCN(Cc2ccc3cc([OH2+])ccc3c2)CC1
InChIInChI=1S/C19H23NO3/c1-2-23-19(22)15-7-9-20(10-8-15)13-14-3-4-17-12-18(21)6-5-16(17)11-14/h3-6,11-12,15,21H,2,7-10,13H2,1H3/p+1
InChIKeyZHYQNKOGBGHSQI-UHFFFAOYSA-O
XLogP3.05
TPSA52.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
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-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
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
ethyl 1-[(4-hydroxy-3-nitrophenyl)methyl]piperidine-4-carboxylate
CID 6456240
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
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772894
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233

Frequently Asked Questions

What is the IUPAC name of [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium?
The IUPAC name of [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium (CID 140661185) is [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium.
What is the SMILES notation for [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium?
The canonical SMILES for [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium is CCOC(=O)C1CCN(Cc2ccc3cc([OH2+])ccc3c2)CC1.
What is the InChIKey of [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium?
The InChIKey is ZHYQNKOGBGHSQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23NO3/c1-2-23-19(22)15-7-9-20(10-8-15)13-14-3-4-17-12-18(21)6-5-16(17)11-14/h3-6,11-12,15,21H,2,7-10,13H2,1H3/p+1.
What are the key properties of [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium?
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium has a molecular weight of 314.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium is sourced from PubChem (CID 140661185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).