1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one

C16H32N2O — CID 65428283

IUPAC1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1CNC
InChIInChI=1S/C16H32N2O/c1-3-4-5-6-7-8-12-16(19)18-13-10-9-11-15(18)14-17-2/h15,17H,3-14H2,1-2H3
InChIKeyVMRBPFJUFVOBHC-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.34
Rot. Bonds9

About 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one

1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one (PubChem CID 65428283) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
PubChem CID65428283
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1CNC
InChIInChI=1S/C16H32N2O/c1-3-4-5-6-7-8-12-16(19)18-13-10-9-11-15(18)14-17-2/h15,17H,3-14H2,1-2H3
InChIKeyVMRBPFJUFVOBHC-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.34
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

1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
CID 114028615
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one (CID 65428283) is 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCCCC1CNC.
What is the InChIKey of 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one?
The InChIKey is VMRBPFJUFVOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-5-6-7-8-12-16(19)18-13-10-9-11-15(18)14-17-2/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one?
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one is sourced from PubChem (CID 65428283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).