1-[4-(methylamino)piperidin-1-yl]hexan-1-one

C12H24N2O — CID 60818219

IUPAC1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(NC)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-12(15)14-9-7-11(13-2)8-10-14/h11,13H,3-10H2,1-2H3
InChIKeyRUYZTJAVJPSZAO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds5

About 1-[4-(methylamino)piperidin-1-yl]hexan-1-one

1-[4-(methylamino)piperidin-1-yl]hexan-1-one (PubChem CID 60818219) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]hexan-1-one
PubChem CID60818219
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(NC)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-12(15)14-9-7-11(13-2)8-10-14/h11,13H,3-10H2,1-2H3
InChIKeyRUYZTJAVJPSZAO-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
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

5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-hexanoylpiperidine-4-carbonitrile
CID 49062755
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]hexan-1-one (CID 60818219) is 1-[4-(methylamino)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCC(NC)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The InChIKey is RUYZTJAVJPSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-6-12(15)14-9-7-11(13-2)8-10-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
1-[4-(methylamino)piperidin-1-yl]hexan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 60818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).