2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal

C12H23NO2 — CID 62275701

IUPAC2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
SMILESCCC(C=O)(CC)CN1CCCC(O)C1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-14)9-13-7-5-6-11(15)8-13/h10-11,15H,3-9H2,1-2H3
InChIKeyABMJIAYNWNPZIK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds5

About 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal

2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal (PubChem CID 62275701) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal.

Molecular Properties

Compound Name2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
PubChem CID62275701
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
SMILESCCC(C=O)(CC)CN1CCCC(O)C1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-14)9-13-7-5-6-11(15)8-13/h10-11,15H,3-9H2,1-2H3
InChIKeyABMJIAYNWNPZIK-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
CID 115919280
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
CID 63165409
2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal
CID 102966865
2-ethyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
CID 62276168
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
1-[2-methyl-2-(methylaminomethyl)pentyl]piperidin-3-ol
CID 62260870
2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butanal
CID 79946150
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935
N-[2-(3-hydroxypiperidin-1-yl)ethyl]formamide
CID 88885612

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal?
The IUPAC name of 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal (CID 62275701) is 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal.
What is the SMILES notation for 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal?
The canonical SMILES for 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal is CCC(C=O)(CC)CN1CCCC(O)C1.
What is the InChIKey of 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal?
The InChIKey is ABMJIAYNWNPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(4-2,10-14)9-13-7-5-6-11(15)8-13/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal?
2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal has a molecular weight of 213.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal is sourced from PubChem (CID 62275701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).