[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone

C17H31NO2 — CID 54012123

IUPAC[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone
SMILESCCCCCCCCCCC(O)C1NCCCC1=C=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-12-16(20)17-15(14-19)11-10-13-18-17/h16-18,20H,2-13H2,1H3
InChIKeyKTBUJACQIGHZSU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.39
Rot. Bonds10

About [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone

[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone (PubChem CID 54012123) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone.

Molecular Properties

Compound Name[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone
PubChem CID54012123
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone
SMILESCCCCCCCCCCC(O)C1NCCCC1=C=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-12-16(20)17-15(14-19)11-10-13-18-17/h16-18,20H,2-13H2,1H3
InChIKeyKTBUJACQIGHZSU-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone?
The IUPAC name of [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone (CID 54012123) is [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone.
What is the SMILES notation for [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone?
The canonical SMILES for [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone is CCCCCCCCCCC(O)C1NCCCC1=C=O.
What is the InChIKey of [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone?
The InChIKey is KTBUJACQIGHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-12-16(20)17-15(14-19)11-10-13-18-17/h16-18,20H,2-13H2,1H3.
What are the key properties of [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone?
[2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone has a molecular weight of 281.44 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyundecyl)piperidin-3-ylidene]methanone is sourced from PubChem (CID 54012123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).