[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol

C14H21N3O3 — CID 62547499

IUPAC[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol
SMILESCN1CCCC(N(C)c2ccc([N+](=O)[O-])cc2CO)C1
InChIInChI=1S/C14H21N3O3/c1-15-7-3-4-13(9-15)16(2)14-6-5-12(17(19)20)8-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3
InChIKeyFNSATOKNQYQDMV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.62
Rot. Bonds4

About [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol

[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol (PubChem CID 62547499) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol
PubChem CID62547499
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol
SMILESCN1CCCC(N(C)c2ccc([N+](=O)[O-])cc2CO)C1
InChIInChI=1S/C14H21N3O3/c1-15-7-3-4-13(9-15)16(2)14-6-5-12(17(19)20)8-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3
InChIKeyFNSATOKNQYQDMV-UHFFFAOYSA-N
XLogP1.62
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.62
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

[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160
2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrobenzoic acid
CID 62547322
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
4-[methyl-(1-methylpiperidin-3-yl)amino]-3-nitrobenzaldehyde
CID 62545366
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
N-methyl-4-[methyl-[(3S)-1-methylpiperidin-3-yl]amino]-3-nitrobenzamide
CID 95776951
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
N,1-dimethyl-N-(3-nitrophenyl)pyrrolidin-3-amine
CID 173013327
[2-[4-(dimethylamino)piperidin-1-yl]-5-nitrophenyl]methanol
CID 43586230
2-ethylsulfanyl-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-5-nitrobenzamide
CID 97330083
2-[cyclopentyl(methyl)amino]-5-nitrobenzoic acid
CID 43213288
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol (CID 62547499) is [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol is CN1CCCC(N(C)c2ccc([N+](=O)[O-])cc2CO)C1.
What is the InChIKey of [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol?
The InChIKey is FNSATOKNQYQDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15-7-3-4-13(9-15)16(2)14-6-5-12(17(19)20)8-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol?
[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol has a molecular weight of 279.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol is sourced from PubChem (CID 62547499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).