2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde

C23H24N2O2 — CID 152940769

IUPAC2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC(CCc4ccccn4)C3)ccc12
InChIInChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(14-18(21)7-11-23(22)27)25-13-3-4-17(15-25)6-8-19-5-1-2-12-24-19/h1-2,5,7,9-12,14,16-17,27H,3-4,6,8,13,15H2
InChIKeyUMTLXPHTLCBGAH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.60
Rot. Bonds5

About 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde

2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde (PubChem CID 152940769) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde
PubChem CID152940769
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC(CCc4ccccn4)C3)ccc12
InChIInChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(14-18(21)7-11-23(22)27)25-13-3-4-17(15-25)6-8-19-5-1-2-12-24-19/h1-2,5,7,9-12,14,16-17,27H,3-4,6,8,13,15H2
InChIKeyUMTLXPHTLCBGAH-UHFFFAOYSA-N
XLogP4.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
CID 146414137
N-[1-(5-formyl-6-hydroxynaphthalen-2-yl)pyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 89113240
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45186154
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45248367
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309
2-[2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 95707838
2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde (CID 152940769) is 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCCC(CCc4ccccn4)C3)ccc12.
What is the InChIKey of 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The InChIKey is UMTLXPHTLCBGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(14-18(21)7-11-23(22)27)25-13-3-4-17(15-25)6-8-19-5-1-2-12-24-19/h1-2,5,7,9-12,14,16-17,27H,3-4,6,8,13,15H2.
What are the key properties of 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde has a molecular weight of 360.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 152940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).