2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde

C14H20N2O2 — CID 89110220

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde
SMILESCCOc1cccc(C=O)c1N1CCC[C@@H](N)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(10-17)14(13)16-8-4-6-12(15)9-16/h3,5,7,10,12H,2,4,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyYIMQJWJFDFBHFL-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde

2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde (PubChem CID 89110220) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde
PubChem CID89110220
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde
SMILESCCOc1cccc(C=O)c1N1CCC[C@@H](N)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(10-17)14(13)16-8-4-6-12(15)9-16/h3,5,7,10,12H,2,4,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyYIMQJWJFDFBHFL-GFCCVEGCSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
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

(5Z)-5-[[2-[(3S)-3-aminopyrrolidin-1-yl]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44609479
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
(3S)-1-(6-bromo-5-ethoxy-3-pyridinyl)piperidin-3-amine
CID 87733925
tert-butyl 2-[(3S)-1-(2-cyclobutyloxy-6-formylphenyl)piperidin-3-yl]acetate
CID 58423289
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
1-(2,6-diethoxyphenyl)piperidine
CID 12585905
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxybenzaldehyde
CID 58423243
2-(3-ethoxypiperidin-1-yl)benzaldehyde
CID 54990320
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
1-(4-ethoxy-2-fluorophenyl)piperidin-3-amine
CID 65202172

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde (CID 89110220) is 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde is CCOc1cccc(C=O)c1N1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde?
The InChIKey is YIMQJWJFDFBHFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(10-17)14(13)16-8-4-6-12(15)9-16/h3,5,7,10,12H,2,4,6,8-9,15H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde?
2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde has a molecular weight of 248.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde is sourced from PubChem (CID 89110220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).