[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone

C12H16N2O2 — CID 155525147

IUPAC[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NO)cc1)N1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-2-1-3-9-14)10-4-6-11(13-16)7-5-10/h4-7,13,16H,1-3,8-9H2
InChIKeyVIAKMEFVKAMUDR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.11
Rot. Bonds2

About [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone

[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 155525147) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
PubChem CID155525147
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NO)cc1)N1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-2-1-3-9-14)10-4-6-11(13-16)7-5-10/h4-7,13,16H,1-3,8-9H2
InChIKeyVIAKMEFVKAMUDR-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone (CID 155525147) is [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(NO)cc1)N1CCCCC1.
What is the InChIKey of [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is VIAKMEFVKAMUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-8-2-1-3-9-14)10-4-6-11(13-16)7-5-10/h4-7,13,16H,1-3,8-9H2.
What are the key properties of [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone?
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).