1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol

C12H14F2N2O3 — CID 81116432

IUPAC1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2c([N+](=O)[O-])ccc(F)c2F)CC1
InChIInChI=1S/C12H14F2N2O3/c1-12(17)4-6-15(7-5-12)11-9(16(18)19)3-2-8(13)10(11)14/h2-3,17H,4-7H2,1H3
InChIKeyNPVVDNVSBMCJTJ-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol

1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol (PubChem CID 81116432) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
PubChem CID81116432
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2c([N+](=O)[O-])ccc(F)c2F)CC1
InChIInChI=1S/C12H14F2N2O3/c1-12(17)4-6-15(7-5-12)11-9(16(18)19)3-2-8(13)10(11)14/h2-3,17H,4-7H2,1H3
InChIKeyNPVVDNVSBMCJTJ-UHFFFAOYSA-N
XLogP2.22
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.22
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'}

Analyze 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124080
(3S)-1-(2,3-difluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 104892831
1-(2,3-difluoro-6-nitrophenyl)piperidine-4-carbaldehyde
CID 62664325
1-[1-(2,3-difluoro-6-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249654
1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115527
1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
CID 103761636
1-(4-chloro-2-nitrophenyl)-4-methylazepan-4-ol
CID 107407375
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-[5-(4-hydroxy-4-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104613685
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-4-ol
CID 80701975
4-methyl-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidin-4-ol
CID 80702708

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol (CID 81116432) is 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2c([N+](=O)[O-])ccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol?
The InChIKey is NPVVDNVSBMCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-12(17)4-6-15(7-5-12)11-9(16(18)19)3-2-8(13)10(11)14/h2-3,17H,4-7H2,1H3.
What are the key properties of 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol?
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol has a molecular weight of 272.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).