2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde

C20H28N2O2 — CID 143979657

IUPAC2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde
SMILESCOc1ccccc1C1CC2CCC(C1)N2C1CCCCN1C=O
InChIInChI=1S/C20H28N2O2/c1-24-19-7-3-2-6-18(19)15-12-16-9-10-17(13-15)22(16)20-8-4-5-11-21(20)14-23/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3
InChIKeyYPGODFYABUKPHU-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.37
Rot. Bonds4

About 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde

2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde (PubChem CID 143979657) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde
PubChem CID143979657
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde
SMILESCOc1ccccc1C1CC2CCC(C1)N2C1CCCCN1C=O
InChIInChI=1S/C20H28N2O2/c1-24-19-7-3-2-6-18(19)15-12-16-9-10-17(13-15)22(16)20-8-4-5-11-21(20)14-23/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3
InChIKeyYPGODFYABUKPHU-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10308007
(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
CID 124500754
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
1-chloro-3-(2-methoxyphenyl)cycloheptane
CID 64507062
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
CID 43635379
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480
1-(3-chlorocyclohexyl)-2-methoxybenzene
CID 64516358

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde?
The IUPAC name of 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde (CID 143979657) is 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde is COc1ccccc1C1CC2CCC(C1)N2C1CCCCN1C=O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde?
The InChIKey is YPGODFYABUKPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-19-7-3-2-6-18(19)15-12-16-9-10-17(13-15)22(16)20-8-4-5-11-21(20)14-23/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde?
2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde has a molecular weight of 328.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 143979657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).