1-(3-aminooxypropyl)piperidin-4-ol

C8H18N2O2 — CID 86200019

IUPAC1-(3-aminooxypropyl)piperidin-4-ol
SMILESNOCCCN1CCC(O)CC1
InChIInChI=1S/C8H18N2O2/c9-12-7-1-4-10-5-2-8(11)3-6-10/h8,11H,1-7,9H2
InChIKeyMMSDKSLKPRQUKY-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.28
Rot. Bonds4

About 1-(3-aminooxypropyl)piperidin-4-ol

1-(3-aminooxypropyl)piperidin-4-ol (PubChem CID 86200019) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(3-aminooxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-aminooxypropyl)piperidin-4-ol
PubChem CID86200019
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(3-aminooxypropyl)piperidin-4-ol
SMILESNOCCCN1CCC(O)CC1
InChIInChI=1S/C8H18N2O2/c9-12-7-1-4-10-5-2-8(11)3-6-10/h8,11H,1-7,9H2
InChIKeyMMSDKSLKPRQUKY-UHFFFAOYSA-N
XLogP-0.28
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperidine-1-propanol
CID 66032
1-Propylpiperidin-4-ol
CID 13665269
1-(3-Aminopropyl)piperidin-4-ol
CID 4712468
4-Hydroxy-N,N-dimethylpiperidinium
CID 428683
1-Butylpiperidin-4-ol
CID 13665270
1-(2-Fluoro-3-hydroxypropyl)piperidin-4-ol
CID 69452975
1-(3-Fluoropropyl)piperidin-4-ol
CID 81114743
(3S,4S)-3-fluoro-1-(3-sulfanyloxypropyl)piperidin-4-ol
CID 139447094
3-Fluoro-1-(3-hydroxypropyl)piperidin-4-ol
CID 142527854
1-(3-Aminooxypropyl)-3-fluoropiperidin-4-ol
CID 167131708
(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol
CID 167131745
(2R)-1-aminooxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 177857100

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxypropyl)piperidin-4-ol?
The IUPAC name of 1-(3-aminooxypropyl)piperidin-4-ol (CID 86200019) is 1-(3-aminooxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-aminooxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-aminooxypropyl)piperidin-4-ol is NOCCCN1CCC(O)CC1.
What is the InChIKey of 1-(3-aminooxypropyl)piperidin-4-ol?
The InChIKey is MMSDKSLKPRQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-12-7-1-4-10-5-2-8(11)3-6-10/h8,11H,1-7,9H2.
What are the key properties of 1-(3-aminooxypropyl)piperidin-4-ol?
1-(3-aminooxypropyl)piperidin-4-ol has a molecular weight of 174.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxypropyl)piperidin-4-ol is sourced from PubChem (CID 86200019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).