N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine

C14H21N3O2 — CID 61205011

IUPACN-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O2/c1-11-5-6-13(14(8-11)17(18)19)16-7-3-4-12(10-16)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyGMEBZIZYWLJQFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine

N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine (PubChem CID 61205011) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
PubChem CID61205011
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O2/c1-11-5-6-13(14(8-11)17(18)19)16-7-3-4-12(10-16)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyGMEBZIZYWLJQFL-UHFFFAOYSA-N
XLogP2.34
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-N-[[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 133389491
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
3-[3-(methylaminomethyl)piperidin-1-yl]-4-nitrobenzoic acid
CID 82770518
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
N-(2,4-dimethylphenyl)-3-nitro-4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]benzenesulfonamide
CID 52910102
N-[[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274957
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone;hydrochloride
CID 119539629
2-[1-(4-methyl-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 64616650
N-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 60595066

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine (CID 61205011) is N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine is CNCC1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine?
The InChIKey is GMEBZIZYWLJQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-6-13(14(8-11)17(18)19)16-7-3-4-12(10-16)9-15-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61205011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).