2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal

C14H27NO2 — CID 106837734

IUPAC2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
SMILESCCC(C=O)(CC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-14(5-2,11-16)10-15-8-6-13(7-9-15)12(3)17/h11-13,17H,4-10H2,1-3H3
InChIKeyHQNCJSUYVUMSRI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal

2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal (PubChem CID 106837734) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal.

Molecular Properties

Compound Name2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
PubChem CID106837734
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
SMILESCCC(C=O)(CC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-14(5-2,11-16)10-15-8-6-13(7-9-15)12(3)17/h11-13,17H,4-10H2,1-3H3
InChIKeyHQNCJSUYVUMSRI-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
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

2-ethyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
CID 62276168
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
CID 62275701
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
CID 106839752
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
CID 103578354
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 112628053
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 106837702

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal?
The IUPAC name of 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal (CID 106837734) is 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal.
What is the SMILES notation for 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal?
The canonical SMILES for 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal is CCC(C=O)(CC)CN1CCC(C(C)O)CC1.
What is the InChIKey of 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal?
The InChIKey is HQNCJSUYVUMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-14(5-2,11-16)10-15-8-6-13(7-9-15)12(3)17/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal?
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal has a molecular weight of 241.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal is sourced from PubChem (CID 106837734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).