1-methylpiperidin-4-ol;nitroxyl

C6H14N2O2 — CID 174247727

IUPAC1-methylpiperidin-4-ol;nitroxyl
SMILESCN1CCC(O)CC1.N=O
InChIInChI=1S/C6H13NO.HNO/c1-7-4-2-6(8)3-5-7;1-2/h6,8H,2-5H2,1H3;1H
InChIKeyLNKIRYWEBMRIPZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.40
Rot. Bonds

About 1-methylpiperidin-4-ol;nitroxyl

1-methylpiperidin-4-ol;nitroxyl (PubChem CID 174247727) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methylpiperidin-4-ol;nitroxyl.

Molecular Properties

Compound Name1-methylpiperidin-4-ol;nitroxyl
PubChem CID174247727
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-methylpiperidin-4-ol;nitroxyl
SMILESCN1CCC(O)CC1.N=O
InChIInChI=1S/C6H13NO.HNO/c1-7-4-2-6(8)3-5-7;1-2/h6,8H,2-5H2,1H3;1H
InChIKeyLNKIRYWEBMRIPZ-UHFFFAOYSA-N
XLogP0.40
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-ol;nitroxyl?
The IUPAC name of 1-methylpiperidin-4-ol;nitroxyl (CID 174247727) is 1-methylpiperidin-4-ol;nitroxyl.
What is the SMILES notation for 1-methylpiperidin-4-ol;nitroxyl?
The canonical SMILES for 1-methylpiperidin-4-ol;nitroxyl is CN1CCC(O)CC1.N=O.
What is the InChIKey of 1-methylpiperidin-4-ol;nitroxyl?
The InChIKey is LNKIRYWEBMRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.HNO/c1-7-4-2-6(8)3-5-7;1-2/h6,8H,2-5H2,1H3;1H.
What are the key properties of 1-methylpiperidin-4-ol;nitroxyl?
1-methylpiperidin-4-ol;nitroxyl has a molecular weight of 146.19 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-ol;nitroxyl is sourced from PubChem (CID 174247727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).