4-methylpiperidine;nitroxyl

C6H14N2O — CID 174726440

IUPAC4-methylpiperidine;nitroxyl
SMILESCC1CCNCC1.N=O
InChIInChI=1S/C6H13N.HNO/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1H
InChIKeyGKYZPFXJMILFCH-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.34
Rot. Bonds

About 4-methylpiperidine;nitroxyl

4-methylpiperidine;nitroxyl (PubChem CID 174726440) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-methylpiperidine;nitroxyl.

Molecular Properties

Compound Name4-methylpiperidine;nitroxyl
PubChem CID174726440
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-methylpiperidine;nitroxyl
SMILESCC1CCNCC1.N=O
InChIInChI=1S/C6H13N.HNO/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1H
InChIKeyGKYZPFXJMILFCH-UHFFFAOYSA-N
XLogP1.34
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine;nitroxyl?
The IUPAC name of 4-methylpiperidine;nitroxyl (CID 174726440) is 4-methylpiperidine;nitroxyl.
What is the SMILES notation for 4-methylpiperidine;nitroxyl?
The canonical SMILES for 4-methylpiperidine;nitroxyl is CC1CCNCC1.N=O.
What is the InChIKey of 4-methylpiperidine;nitroxyl?
The InChIKey is GKYZPFXJMILFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.HNO/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1H.
What are the key properties of 4-methylpiperidine;nitroxyl?
4-methylpiperidine;nitroxyl has a molecular weight of 130.19 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine;nitroxyl is sourced from PubChem (CID 174726440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).