N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine

C15H23N3O2 — CID 106623067

IUPACN-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc([N+](=O)[O-])cc1)N(C)CC1CCCCN1
InChIInChI=1S/C15H23N3O2/c1-12(13-6-8-15(9-7-13)18(19)20)17(2)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3
InChIKeyCIMVCDWWVPVRJJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine

N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106623067) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106623067
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc([N+](=O)[O-])cc1)N(C)CC1CCCCN1
InChIInChI=1S/C15H23N3O2/c1-12(13-6-8-15(9-7-13)18(19)20)17(2)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3
InChIKeyCIMVCDWWVPVRJJ-UHFFFAOYSA-N
XLogP2.73
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.73
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'}

Analyze N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603598
N-[1-(4-nitrophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599151
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
2-bromo-N-methyl-5-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 106627285
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
3-[1-[methyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106623014
2-methyl-4-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylaniline
CID 106641300
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106623067) is N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine is CC(c1ccc([N+](=O)[O-])cc1)N(C)CC1CCCCN1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is CIMVCDWWVPVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(13-6-8-15(9-7-13)18(19)20)17(2)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106623067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).