4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol

C20H24N2O5 — CID 133362602

IUPAC4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1
InChIInChI=1S/C20H24N2O5/c1-14-10-16(22(24)25)4-5-19(14)21-8-6-20(23,7-9-21)15-11-17(26-2)13-18(12-15)27-3/h4-5,10-13,23H,6-9H2,1-3H3
InChIKeyOOMHISCETHSDBH-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.41
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol

4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol (PubChem CID 133362602) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol
PubChem CID133362602
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1
InChIInChI=1S/C20H24N2O5/c1-14-10-16(22(24)25)4-5-19(14)21-8-6-20(23,7-9-21)15-11-17(26-2)13-18(12-15)27-3/h4-5,10-13,23H,6-9H2,1-3H3
InChIKeyOOMHISCETHSDBH-UHFFFAOYSA-N
XLogP3.41
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
CID 133362520
1-tert-butyl-4-(2-methyl-4-nitrophenyl)piperazine
CID 70571438
1-(2-methyl-4-nitrophenyl)-4-(piperazin-1-ylmethyl)piperidin-4-ol
CID 90166149
1-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-4-nitrophenyl)piperazine
CID 133348181
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 2880547
6,6-dimethyl-3-(2-methyl-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
CID 133341058
1-(2-methyl-4-nitrophenyl)-1,4-azaborinane-4-carbonitrile
CID 170951709
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine
CID 133448476
3,3-dimethyl-1-(2-methyl-4-nitrophenyl)piperazine
CID 82994396
(6S,7S)-N-hydroxy-7-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]spiro[2.5]octane-6-carboxamide
CID 59305101
1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124556

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol (CID 133362602) is 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol is COc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol?
The InChIKey is OOMHISCETHSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14-10-16(22(24)25)4-5-19(14)21-8-6-20(23,7-9-21)15-11-17(26-2)13-18(12-15)27-3/h4-5,10-13,23H,6-9H2,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol?
4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol has a molecular weight of 372.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol is sourced from PubChem (CID 133362602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).