8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one

C15H30N2O — CID 143122837

IUPAC8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
SMILESCNCCCCCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H30N2O/c1-14-9-12-17(13-10-14)15(18)8-6-4-3-5-7-11-16-2/h14,16H,3-13H2,1-2H3
InChIKeyQHLQQPMEZKZJOE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds8

About 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one

8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one (PubChem CID 143122837) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one.

Molecular Properties

Compound Name8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
PubChem CID143122837
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
SMILESCNCCCCCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H30N2O/c1-14-9-12-17(13-10-14)15(18)8-6-4-3-5-7-11-16-2/h14,16H,3-13H2,1-2H3
InChIKeyQHLQQPMEZKZJOE-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
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

4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058
4-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887452
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
CID 145076984
1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one
CID 119765233
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
1-(3-hydroxy-4-methylpiperidin-1-yl)-4-(methylamino)butan-1-one
CID 102957222

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one?
The IUPAC name of 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one (CID 143122837) is 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one.
What is the SMILES notation for 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one?
The canonical SMILES for 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one is CNCCCCCCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one?
The InChIKey is QHLQQPMEZKZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14-9-12-17(13-10-14)15(18)8-6-4-3-5-7-11-16-2/h14,16H,3-13H2,1-2H3.
What are the key properties of 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one?
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one is sourced from PubChem (CID 143122837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).