1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol

C12H15ClN2O3 — CID 103896080

IUPAC1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H15ClN2O3/c1-8-4-5-14(7-12(8)16)10-3-2-9(13)6-11(10)15(17)18/h2-3,6,8,12,16H,4-5,7H2,1H3
InChIKeyMPMBBJWLHABQAO-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.46
Rot. Bonds2

About 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol

1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol (PubChem CID 103896080) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
PubChem CID103896080
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H15ClN2O3/c1-8-4-5-14(7-12(8)16)10-3-2-9(13)6-11(10)15(17)18/h2-3,6,8,12,16H,4-5,7H2,1H3
InChIKeyMPMBBJWLHABQAO-UHFFFAOYSA-N
XLogP2.46
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.46
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-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-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-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959789
1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959765
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
CID 7070876
1-[1-(4-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 58056236
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazin-4-ium
CID 7070875
1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 102959237
5-chloro-2-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183702
5-chloro-2-[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183701
1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CID 19624576
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
3-(4-chloro-2-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314766
2-[1-(4-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 66667300

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol (CID 103896080) is 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol is CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1O.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol?
The InChIKey is MPMBBJWLHABQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-4-5-14(7-12(8)16)10-3-2-9(13)6-11(10)15(17)18/h2-3,6,8,12,16H,4-5,7H2,1H3.
What are the key properties of 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol?
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol has a molecular weight of 270.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).