N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine

C14H21N3O2 — CID 106623093

IUPACN-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1)CC1CCCCN1
InChIInChI=1S/C14H21N3O2/c1-16(11-13-6-2-3-8-15-13)10-12-5-4-7-14(9-12)17(18)19/h4-5,7,9,13,15H,2-3,6,8,10-11H2,1H3
InChIKeyJRIQDFPPDLJSEE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine

N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106623093) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106623093
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1)CC1CCCCN1
InChIInChI=1S/C14H21N3O2/c1-16(11-13-6-2-3-8-15-13)10-12-5-4-7-14(9-12)17(18)19/h4-5,7,9,13,15H,2-3,6,8,10-11H2,1H3
InChIKeyJRIQDFPPDLJSEE-UHFFFAOYSA-N
XLogP2.17
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
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-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
2-[2-(3-nitrophenyl)ethyl]pyrrolidine
CID 104703830
N-[(5-fluoro-2-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614171
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine (CID 106623093) is N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine is CN(Cc1cccc([N+](=O)[O-])c1)CC1CCCCN1.
What is the InChIKey of N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is JRIQDFPPDLJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(11-13-6-2-3-8-15-13)10-12-5-4-7-14(9-12)17(18)19/h4-5,7,9,13,15H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106623093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).