1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

C9H18N2O — CID 22983130

IUPAC1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)11-5-3-9(4-6-11)7-10-2/h9-10H,3-7H2,1-2H3
InChIKeyRGJYOABHJQLZFV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds2

About 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 22983130) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID22983130
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O/c1-8(12)11-5-3-9(4-6-11)7-10-2/h9-10H,3-7H2,1-2H3
InChIKeyRGJYOABHJQLZFV-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (CID 22983130) is 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is RGJYOABHJQLZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)11-5-3-9(4-6-11)7-10-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 22983130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).