1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine

C14H21N3O3 — CID 63249355

IUPAC1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O3/c1-15-10-11-5-7-16(8-6-11)13-4-3-12(20-2)9-14(13)17(18)19/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeySUNLSGSJNOHBIA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.04
Rot. Bonds5

About 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 63249355) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID63249355
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O3/c1-15-10-11-5-7-16(8-6-11)13-4-3-12(20-2)9-14(13)17(18)19/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeySUNLSGSJNOHBIA-UHFFFAOYSA-N
XLogP2.04
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 65343117
1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 71145229
2-[1-(4-iodo-2-nitrophenyl)piperidin-4-yl]-N-methylethanamine
CID 66082496
[4-(methylaminomethyl)piperidin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone;hydrochloride
CID 119543965
2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
CID 71155640
(3S,5R)-1-(4-methoxy-2-nitrophenyl)-3,5-dimethylpiperidine
CID 99966439
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-[1-[2-(difluoromethyl)-4-nitrophenyl]piperidin-4-yl]-N-methylmethanamine
CID 63735308
1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124556
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine (CID 63249355) is 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is SUNLSGSJNOHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15-10-11-5-7-16(8-6-11)13-4-3-12(20-2)9-14(13)17(18)19/h3-4,9,11,15H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63249355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).