1-piperidin-4-ylhexan-2-one

C11H21NO — CID 116559845

IUPAC1-piperidin-4-ylhexan-2-one
SMILESCCCCC(=O)CC1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h10,12H,2-9H2,1H3
InChIKeyUPEFPOUUJNFOFP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.14
Rot. Bonds5

About 1-piperidin-4-ylhexan-2-one

1-piperidin-4-ylhexan-2-one (PubChem CID 116559845) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-piperidin-4-ylhexan-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylhexan-2-one
PubChem CID116559845
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-piperidin-4-ylhexan-2-one
SMILESCCCCC(=O)CC1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h10,12H,2-9H2,1H3
InChIKeyUPEFPOUUJNFOFP-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylhexan-2-one?
The IUPAC name of 1-piperidin-4-ylhexan-2-one (CID 116559845) is 1-piperidin-4-ylhexan-2-one.
What is the SMILES notation for 1-piperidin-4-ylhexan-2-one?
The canonical SMILES for 1-piperidin-4-ylhexan-2-one is CCCCC(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylhexan-2-one?
The InChIKey is UPEFPOUUJNFOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-piperidin-4-ylhexan-2-one?
1-piperidin-4-ylhexan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylhexan-2-one is sourced from PubChem (CID 116559845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).