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

C14H27NO2 — CID 18789385

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-9-14(17)15-11-7-6-8-13(15)10-12-16/h13,16H,2-12H2,1H3
InChIKeyUGPZSAOLOZSGSA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.72
Rot. Bonds7

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

1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one (PubChem CID 18789385) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
PubChem CID18789385
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-9-14(17)15-11-7-6-8-13(15)10-12-16/h13,16H,2-12H2,1H3
InChIKeyUGPZSAOLOZSGSA-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.72
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

2-(1-Acetylpiperidin-2-yl)acetic acid
CID 14043894
1-(1Methylpropylcarbonyl)-2-(hydroxyethyl)-piperidine
CID 15376470
4,4,4-Trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 65710970
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 9815750
1-Pentanoyl-2-(2-hydroxyethyl)-piperidine
CID 9834346
1-[2-(2-Methoxyethyl)piperidin-1-yl]pentan-1-one
CID 9964596
N,N-diethyl-11-hydroxyundecanamide
CID 11747269
6-Hydroxy-1-(1-piperidinyl-1-hexanone
CID 13088432
1-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanone
CID 14043900
1-[(2S)-2-(2-Hydroxyethyl)piperidin-1-YL]ethanone
CID 14043901
1-[(2R)-2-(2-Hydroxyethyl)piperidin-1-YL]ethanone
CID 14043902
2-(1-Ethoxycarbonylpiperidin-2-yl)acetic acid
CID 14231207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one (CID 18789385) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one is CCCCCCC(=O)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The InChIKey is UGPZSAOLOZSGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-9-14(17)15-11-7-6-8-13(15)10-12-16/h13,16H,2-12H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one is sourced from PubChem (CID 18789385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).