1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol

C12H14ClFN2O3 — CID 81115527

IUPAC1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H14ClFN2O3/c1-12(17)2-4-15(5-3-12)10-7-9(14)8(13)6-11(10)16(18)19/h6-7,17H,2-5H2,1H3
InChIKeyHNGDQYBGHKOTAI-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol

1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol (PubChem CID 81115527) has the molecular formula C12H14ClFN2O3 and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol
PubChem CID81115527
Molecular FormulaC12H14ClFN2O3
Molecular Weight288.71 g/mol
Exact Mass288.07
IUPAC Name1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H14ClFN2O3/c1-12(17)2-4-15(5-3-12)10-7-9(14)8(13)6-11(10)16(18)19/h6-7,17H,2-5H2,1H3
InChIKeyHNGDQYBGHKOTAI-UHFFFAOYSA-N
XLogP2.74
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.74
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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Related Compounds

1-(4,5-dichloro-2-nitrophenyl)-4-methylazepan-4-ol
CID 107407571
1-(4-chloro-5-fluoro-2-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 66078140
1-(4-chloro-2-nitrophenyl)-4-methylazepan-4-ol
CID 107407375
1-(4-chloro-5-fluoro-2-nitrophenyl)-3,5-dimethylpiperazine
CID 66079311
2-[1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-4-yl]acetic acid
CID 79610111
2-[1-(4-chloro-5-fluoro-2-nitrophenyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658065
4-(4-chloro-5-fluoro-2-nitrophenyl)-1,2-dimethylpiperazine
CID 137377374
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312
1-[4-(hydroxymethyl)-2-nitrophenyl]-4-methylpiperidin-4-ol
CID 80702841
[4-(4-chloro-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779331
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
CID 81116432
4-(4-chloro-5-fluoro-2-nitrophenyl)thiomorpholine-3-carboxylic acid
CID 82904902

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol (CID 81115527) is 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol?
The InChIKey is HNGDQYBGHKOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3/c1-12(17)2-4-15(5-3-12)10-7-9(14)8(13)6-11(10)16(18)19/h6-7,17H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol?
1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol has a molecular weight of 288.71 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).