1-(nitromethyl)piperidin-3-ol

C6H12N2O3 — CID 130682637

IUPAC1-(nitromethyl)piperidin-3-ol
SMILESO=[N+]([O-])CN1CCCC(O)C1
InChIInChI=1S/C6H12N2O3/c9-6-2-1-3-7(4-6)5-8(10)11/h6,9H,1-5H2
InChIKeyMHABBKSMKNJHGV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.32
Rot. Bonds2

About 1-(nitromethyl)piperidin-3-ol

1-(nitromethyl)piperidin-3-ol (PubChem CID 130682637) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(nitromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(nitromethyl)piperidin-3-ol
PubChem CID130682637
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(nitromethyl)piperidin-3-ol
SMILESO=[N+]([O-])CN1CCCC(O)C1
InChIInChI=1S/C6H12N2O3/c9-6-2-1-3-7(4-6)5-8(10)11/h6,9H,1-5H2
InChIKeyMHABBKSMKNJHGV-UHFFFAOYSA-N
XLogP-0.32
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(nitromethyl)piperidin-3-ol?
The IUPAC name of 1-(nitromethyl)piperidin-3-ol (CID 130682637) is 1-(nitromethyl)piperidin-3-ol.
What is the SMILES notation for 1-(nitromethyl)piperidin-3-ol?
The canonical SMILES for 1-(nitromethyl)piperidin-3-ol is O=[N+]([O-])CN1CCCC(O)C1.
What is the InChIKey of 1-(nitromethyl)piperidin-3-ol?
The InChIKey is MHABBKSMKNJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c9-6-2-1-3-7(4-6)5-8(10)11/h6,9H,1-5H2.
What are the key properties of 1-(nitromethyl)piperidin-3-ol?
1-(nitromethyl)piperidin-3-ol has a molecular weight of 160.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nitromethyl)piperidin-3-ol is sourced from PubChem (CID 130682637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).