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

C9H18N2O2 — CID 39237858

IUPAC1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1(O)CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-8(12)11-5-3-9(13,4-6-11)7-10-2/h10,13H,3-7H2,1-2H3
InChIKeyWZKSCXDAMFNUFZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds2

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

1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 39237858) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID39237858
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1(O)CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-8(12)11-5-3-9(13,4-6-11)7-10-2/h10,13H,3-7H2,1-2H3
InChIKeyWZKSCXDAMFNUFZ-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone (CID 39237858) is 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1(O)CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is WZKSCXDAMFNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(12)11-5-3-9(13,4-6-11)7-10-2/h10,13H,3-7H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone?
1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.42, 2 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]ethanone is sourced from PubChem (CID 39237858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).