(3R)-3-methyl-1-(4-nitrophenyl)piperidine

C12H16N2O2 — CID 7212381

IUPAC(3R)-3-methyl-1-(4-nitrophenyl)piperidine
SMILESC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H16N2O2/c1-10-3-2-8-13(9-10)11-4-6-12(7-5-11)14(15)16/h4-7,10H,2-3,8-9H2,1H3/t10-/m1/s1
InChIKeyYRGAWWJSVRCDAL-SNVBAGLBSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds2

About (3R)-3-methyl-1-(4-nitrophenyl)piperidine

(3R)-3-methyl-1-(4-nitrophenyl)piperidine (PubChem CID 7212381) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R)-3-methyl-1-(4-nitrophenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(4-nitrophenyl)piperidine
PubChem CID7212381
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3R)-3-methyl-1-(4-nitrophenyl)piperidine
SMILESC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H16N2O2/c1-10-3-2-8-13(9-10)11-4-6-12(7-5-11)14(15)16/h4-7,10H,2-3,8-9H2,1H3/t10-/m1/s1
InChIKeyYRGAWWJSVRCDAL-SNVBAGLBSA-N
XLogP2.83
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56805165
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
2-(3-methylpiperidin-1-yl)-5-nitrobenzaldehyde
CID 43083204
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
1-[2-(chloromethyl)-4-nitrophenyl]-3-methylpiperidine
CID 43122181
1-[2-(bromomethyl)-4-nitrophenyl]-3-methylpiperidine
CID 107079018
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
(3S)-1-(4-nitrophenyl)piperidine-3-carbohydrazide
CID 100618626
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-nitrobenzamide
CID 125042570

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(4-nitrophenyl)piperidine?
The IUPAC name of (3R)-3-methyl-1-(4-nitrophenyl)piperidine (CID 7212381) is (3R)-3-methyl-1-(4-nitrophenyl)piperidine.
What is the SMILES notation for (3R)-3-methyl-1-(4-nitrophenyl)piperidine?
The canonical SMILES for (3R)-3-methyl-1-(4-nitrophenyl)piperidine is C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (3R)-3-methyl-1-(4-nitrophenyl)piperidine?
The InChIKey is YRGAWWJSVRCDAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-3-2-8-13(9-10)11-4-6-12(7-5-11)14(15)16/h4-7,10H,2-3,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(4-nitrophenyl)piperidine?
(3R)-3-methyl-1-(4-nitrophenyl)piperidine has a molecular weight of 220.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(4-nitrophenyl)piperidine is sourced from PubChem (CID 7212381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).