1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone

C9H18N2O — CID 95037259

IUPAC1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNC[C@H]1CCCCN1C(C)=O
InChIInChI=1S/C9H18N2O/c1-8(12)11-6-4-3-5-9(11)7-10-2/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVIEDQCMFWUSGAQ-SECBINFHSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone

1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 95037259) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID95037259
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNC[C@H]1CCCCN1C(C)=O
InChIInChI=1S/C9H18N2O/c1-8(12)11-6-4-3-5-9(11)7-10-2/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVIEDQCMFWUSGAQ-SECBINFHSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 90723463
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone (CID 95037259) is 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone is CNC[C@H]1CCCCN1C(C)=O.
What is the InChIKey of 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is VIEDQCMFWUSGAQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)11-6-4-3-5-9(11)7-10-2/h9-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone?
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95037259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).