1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one

C10H20N2O2 — CID 39240321

IUPAC1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(CNC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(13)12-6-4-10(14,5-7-12)8-11-2/h11,14H,3-8H2,1-2H3
InChIKeyKDHFLULIDZADSI-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds3

About 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one

1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 39240321) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID39240321
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(CNC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(13)12-6-4-10(14,5-7-12)8-11-2/h11,14H,3-8H2,1-2H3
InChIKeyKDHFLULIDZADSI-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-((methylamino)methyl)piperidin-4-ol
CID 14153814
tert-Butyl 4-hydroxy-4-[(methylamino)methyl]piperidine-1-carboxylate
CID 39348378
2,2,2-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]acetamide
CID 89835527
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 117749585
2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 135257207
N-ethyl-3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 109885145
N-[3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 109885455
3-(Ethylamino)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 112737771
4,4,4-Trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-YL)methyl]butanamide
CID 131937108
1-[4-(Aminomethyl)-4-hydroxy-1-piperidyl]-3,3,3-trifluoro-propan-1-one
CID 155893896
N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 73439620
N-(4-Hydroxy-1-methyl-4-piperidinylmethyl)formamide
CID 14153813

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 39240321) is 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(O)(CNC)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is KDHFLULIDZADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(13)12-6-4-10(14,5-7-12)8-11-2/h11,14H,3-8H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 39240321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).