ethane;1-piperidin-1-ylhexan-1-one

C13H27NO — CID 143870024

IUPACethane;1-piperidin-1-ylhexan-1-one
SMILESCC.CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO.C2H6/c1-2-3-5-8-11(13)12-9-6-4-7-10-12;1-2/h2-10H2,1H3;1-2H3
InChIKeyKGNCETBQWFWYMN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.61
Rot. Bonds4

About ethane;1-piperidin-1-ylhexan-1-one

ethane;1-piperidin-1-ylhexan-1-one (PubChem CID 143870024) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Nameethane;1-piperidin-1-ylhexan-1-one
PubChem CID143870024
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;1-piperidin-1-ylhexan-1-one
SMILESCC.CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO.C2H6/c1-2-3-5-8-11(13)12-9-6-4-7-10-12;1-2/h2-10H2,1H3;1-2H3
InChIKeyKGNCETBQWFWYMN-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-piperidin-1-ylhexan-1-one?
The IUPAC name of ethane;1-piperidin-1-ylhexan-1-one (CID 143870024) is ethane;1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for ethane;1-piperidin-1-ylhexan-1-one?
The canonical SMILES for ethane;1-piperidin-1-ylhexan-1-one is CC.CCCCCC(=O)N1CCCCC1.
What is the InChIKey of ethane;1-piperidin-1-ylhexan-1-one?
The InChIKey is KGNCETBQWFWYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-2-3-5-8-11(13)12-9-6-4-7-10-12;1-2/h2-10H2,1H3;1-2H3.
What are the key properties of ethane;1-piperidin-1-ylhexan-1-one?
ethane;1-piperidin-1-ylhexan-1-one has a molecular weight of 213.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 143870024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).