N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine

C14H21N3O2 — CID 63253758

IUPACN-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H21N3O2/c1-11-6-7-12(17(18)19)9-14(11)16-8-4-3-5-13(16)10-15-2/h6-7,9,13,15H,3-5,8,10H2,1-2H3
InChIKeyXJSSXHXVKBIXSL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine

N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine (PubChem CID 63253758) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine
PubChem CID63253758
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H21N3O2/c1-11-6-7-12(17(18)19)9-14(11)16-8-4-3-5-13(16)10-15-2/h6-7,9,13,15H,3-5,8,10H2,1-2H3
InChIKeyXJSSXHXVKBIXSL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

N-methyl-1-[1-(2-methyl-4-nitrophenyl)piperidin-2-yl]methanamine
CID 63254111
1-[1-(2,4-dinitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 63253560
methyl 2-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]acetate
CID 62590506
[2-(methylaminomethyl)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 63249291
1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 66080118
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 119649039
N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine
CID 115317072
1-(2-methyl-5-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254369
methyl 2-[1-(2-methyl-4-nitrophenyl)piperidin-2-yl]acetate
CID 62006652
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
N-methyl-1-[1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115316991

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine (CID 63253758) is N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine is CNCC1CCCCN1c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine?
The InChIKey is XJSSXHXVKBIXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-6-7-12(17(18)19)9-14(11)16-8-4-3-5-13(16)10-15-2/h6-7,9,13,15H,3-5,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.48, 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-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 63253758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).