1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one

C25H49NO2 — CID 174408643

IUPAC1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1C(C)O
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-22-19-18-20-24(26)23(2)27/h23-24,27H,3-22H2,1-2H3
InChIKeyDIPLYYZETPGYIC-UHFFFAOYSA-N
MW395.67 g/mol
LogP7.01
Rot. Bonds17

About 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one

1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one (PubChem CID 174408643) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
PubChem CID174408643
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1C(C)O
InChIInChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-22-19-18-20-24(26)23(2)27/h23-24,27H,3-22H2,1-2H3
InChIKeyDIPLYYZETPGYIC-UHFFFAOYSA-N
XLogP7.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 129371127
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
1-decanoylazepane-2-carboxylic acid
CID 64558604
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one?
The IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one (CID 174408643) is 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one?
The canonical SMILES for 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one is CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1C(C)O.
What is the InChIKey of 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one?
The InChIKey is DIPLYYZETPGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-22-19-18-20-24(26)23(2)27/h23-24,27H,3-22H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one?
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one has a molecular weight of 395.67 g/mol, XLogP of 7.01, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one is sourced from PubChem (CID 174408643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).