[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone

C13H24N2O2 — CID 61205442

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCNCC1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-14-9-11-3-2-6-15(10-11)13(16)12-4-7-17-8-5-12/h11-12,14H,2-10H2,1H3
InChIKeyYLARTYZDRVXIKQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone

[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 61205442) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID61205442
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCNCC1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-14-9-11-3-2-6-15(10-11)13(16)12-4-7-17-8-5-12/h11-12,14H,2-10H2,1H3
InChIKeyYLARTYZDRVXIKQ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
CID 138050785
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 61205442) is [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone is CNCC1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is YLARTYZDRVXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-9-11-3-2-6-15(10-11)13(16)12-4-7-17-8-5-12/h11-12,14H,2-10H2,1H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 61205442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).