2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine

C23H31NO3 — CID 143519648

IUPAC2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine
SMILESCN1CCC(CCOc2ccccc2)CC1.COc1ccccc1CC=O
InChIInChI=1S/C14H21NO.C9H10O2/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14;1-11-9-5-3-2-4-8(9)6-7-10/h2-6,13H,7-12H2,1H3;2-5,7H,6H2,1H3
InChIKeyGBRCQCHADAJRQV-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.23
Rot. Bonds7

About 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine

2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine (PubChem CID 143519648) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine
PubChem CID143519648
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine
SMILESCN1CCC(CCOc2ccccc2)CC1.COc1ccccc1CC=O
InChIInChI=1S/C14H21NO.C9H10O2/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14;1-11-9-5-3-2-4-8(9)6-7-10/h2-6,13H,7-12H2,1H3;2-5,7H,6H2,1H3
InChIKeyGBRCQCHADAJRQV-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;2-(2-methoxyphenyl)-1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 162167070
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
anisole;1-ethyl-4-(2-phenoxyethyl)piperidine
CID 174661948
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(3-phenoxypropyl)guanidine
CID 111418107

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine?
The IUPAC name of 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine (CID 143519648) is 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine.
What is the SMILES notation for 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine?
The canonical SMILES for 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine is CN1CCC(CCOc2ccccc2)CC1.COc1ccccc1CC=O.
What is the InChIKey of 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine?
The InChIKey is GBRCQCHADAJRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C9H10O2/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14;1-11-9-5-3-2-4-8(9)6-7-10/h2-6,13H,7-12H2,1H3;2-5,7H,6H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine?
2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine has a molecular weight of 369.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)acetaldehyde;1-methyl-4-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 143519648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).