(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol

C15H22N2O4 — CID 102959901

IUPAC(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol
SMILESCOC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCC1C
InChIInChI=1S/C15H22N2O4/c1-10-6-7-16(9-15(10)21-3)13-5-4-12(11(2)18)8-14(13)17(19)20/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3/t10?,11-,15?/m1/s1
InChIKeyHIKWTLNLRYGGBE-LOIXOFCESA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds4

About (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol

(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol (PubChem CID 102959901) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol
PubChem CID102959901
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol
SMILESCOC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCC1C
InChIInChI=1S/C15H22N2O4/c1-10-6-7-16(9-15(10)21-3)13-5-4-12(11(2)18)8-14(13)17(19)20/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3/t10?,11-,15?/m1/s1
InChIKeyHIKWTLNLRYGGBE-LOIXOFCESA-N
XLogP2.51
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', '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

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
4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 102958681
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanol
CID 102959884
1-[1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]pyrrolidin-3-yl]ethanol
CID 103942845
1-[4-(bromomethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 107085461
1-[4-(chloromethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 102965842
1-[4-[4-(dimethylamino)piperidin-1-yl]-3-nitrophenyl]ethanol
CID 43586220
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
(1R)-1-[4-(4-methylazepan-1-yl)-3-nitrophenyl]ethanol
CID 78946719
(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 55185182
3-(3-methoxy-4-methylpiperidin-1-yl)-4-nitroaniline
CID 122159827

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol (CID 102959901) is (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol is COC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCC1C.
What is the InChIKey of (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol?
The InChIKey is HIKWTLNLRYGGBE-LOIXOFCESA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-6-7-16(9-15(10)21-3)13-5-4-12(11(2)18)8-14(13)17(19)20/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3/t10?,11-,15?/m1/s1.
What are the key properties of (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol?
(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol has a molecular weight of 294.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol is sourced from PubChem (CID 102959901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).