1-[5-(dimethylamino)pentyl]piperidin-4-one

C12H24N2O — CID 18001990

IUPAC1-[5-(dimethylamino)pentyl]piperidin-4-one
SMILESCN(C)CCCCCN1CCC(=O)CC1
InChIInChI=1S/C12H24N2O/c1-13(2)8-4-3-5-9-14-10-6-12(15)7-11-14/h3-11H2,1-2H3
InChIKeyRTUNTTUEVVJPTP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds6

About 1-[5-(dimethylamino)pentyl]piperidin-4-one

1-[5-(dimethylamino)pentyl]piperidin-4-one (PubChem CID 18001990) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pentyl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)pentyl]piperidin-4-one
PubChem CID18001990
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[5-(dimethylamino)pentyl]piperidin-4-one
SMILESCN(C)CCCCCN1CCC(=O)CC1
InChIInChI=1S/C12H24N2O/c1-13(2)8-4-3-5-9-14-10-6-12(15)7-11-14/h3-11H2,1-2H3
InChIKeyRTUNTTUEVVJPTP-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[5-(dimethylamino)pentyl]piperidin-4-one?
The IUPAC name of 1-[5-(dimethylamino)pentyl]piperidin-4-one (CID 18001990) is 1-[5-(dimethylamino)pentyl]piperidin-4-one.
What is the SMILES notation for 1-[5-(dimethylamino)pentyl]piperidin-4-one?
The canonical SMILES for 1-[5-(dimethylamino)pentyl]piperidin-4-one is CN(C)CCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-[5-(dimethylamino)pentyl]piperidin-4-one?
The InChIKey is RTUNTTUEVVJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)8-4-3-5-9-14-10-6-12(15)7-11-14/h3-11H2,1-2H3.
What are the key properties of 1-[5-(dimethylamino)pentyl]piperidin-4-one?
1-[5-(dimethylamino)pentyl]piperidin-4-one has a molecular weight of 212.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pentyl]piperidin-4-one is sourced from PubChem (CID 18001990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).