3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol

C15H22N2O4 — CID 114680943

IUPAC3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(O)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-10(2)21-14-7-12(6-13(8-14)17(19)20)16-5-4-15(18)11(3)9-16/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyZJIWMIOYZYIQAL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.59
Rot. Bonds4

About 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol

3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol (PubChem CID 114680943) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol
PubChem CID114680943
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(O)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-10(2)21-14-7-12(6-13(8-14)17(19)20)16-5-4-15(18)11(3)9-16/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyZJIWMIOYZYIQAL-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine
CID 80743265
1-[1-(3-methoxy-5-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627930
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)azetidin-3-ol
CID 80743413
1-(3-nitro-5-propan-2-yloxyphenyl)-3-propan-2-ylazetidin-3-ol
CID 80743561
1-[1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-yl]ethanol
CID 115966599
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
(3S)-1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-ol
CID 104892885
1-[1-(3-ethoxy-5-nitrophenyl)piperidin-4-yl]ethanamine
CID 80744489
4-(4-hydroxy-3-methylpiperidin-1-yl)-2-nitrobenzonitrile
CID 114678522
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
3-methyl-1-(6-nitro-1H-benzimidazol-2-yl)piperidin-4-ol
CID 114680961

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol (CID 114680943) is 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol is CC(C)Oc1cc(N2CCC(O)C(C)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol?
The InChIKey is ZJIWMIOYZYIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)21-14-7-12(6-13(8-14)17(19)20)16-5-4-15(18)11(3)9-16/h6-8,10-11,15,18H,4-5,9H2,1-3H3.
What are the key properties of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol?
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol has a molecular weight of 294.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol is sourced from PubChem (CID 114680943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).