N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

C14H22ClN3O3 — CID 119912831

IUPACN-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(CN(C)C2CCNCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16(12-5-7-15-8-6-12)10-11-3-4-14(20-2)13(9-11)17(18)19;/h3-4,9,12,15H,5-8,10H2,1-2H3;1H
InChIKeyKAOGXIVYAADXLV-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.21
Rot. Bonds5

About N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119912831) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119912831
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(CN(C)C2CCNCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16(12-5-7-15-8-6-12)10-11-3-4-14(20-2)13(9-11)17(18)19;/h3-4,9,12,15H,5-8,10H2,1-2H3;1H
InChIKeyKAOGXIVYAADXLV-UHFFFAOYSA-N
XLogP2.21
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.21
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

N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913258
N-[(3-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835248
methyl 2-[4-[[methyl(pyrrolidin-3-yl)amino]methyl]-2-nitrophenoxy]acetate
CID 120839464
2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397985
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
2-chloro-N-(2-chloroethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]ethanamine;hydrochloride
CID 12642797
N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55103758
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119912831) is N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is COc1ccc(CN(C)C2CCNCC2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is KAOGXIVYAADXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-16(12-5-7-15-8-6-12)10-11-3-4-14(20-2)13(9-11)17(18)19;/h3-4,9,12,15H,5-8,10H2,1-2H3;1H.
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119912831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).