1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one

C14H24N2O — CID 114028615

IUPAC1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CCCCC1CNC
InChIInChI=1S/C14H24N2O/c1-3-4-5-6-10-14(17)16-11-8-7-9-13(16)12-15-2/h1,13,15H,4-12H2,2H3
InChIKeyNSQQQDFEJVAPMQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds6

About 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one

1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one (PubChem CID 114028615) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
PubChem CID114028615
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CCCCC1CNC
InChIInChI=1S/C14H24N2O/c1-3-4-5-6-10-14(17)16-11-8-7-9-13(16)12-15-2/h1,13,15H,4-12H2,2H3
InChIKeyNSQQQDFEJVAPMQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
1-[2-(methylaminomethyl)pyrrolidin-1-yl]hex-5-en-1-one
CID 119651767
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one;hydrochloride
CID 119650343
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one (CID 114028615) is 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one is C#CCCCCC(=O)N1CCCCC1CNC.
What is the InChIKey of 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one?
The InChIKey is NSQQQDFEJVAPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-5-6-10-14(17)16-11-8-7-9-13(16)12-15-2/h1,13,15H,4-12H2,2H3.
What are the key properties of 1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one?
1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.78, 6 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]hept-6-yn-1-one is sourced from PubChem (CID 114028615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).