N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine

C14H21N3O2 — CID 106622922

IUPACN-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)CC1CCCCN1
InChIInChI=1S/C14H21N3O2/c1-16(11-13-4-2-3-9-15-13)10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyLJOLGELMNVXFBN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine

N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106622922) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106622922
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)CC1CCCCN1
InChIInChI=1S/C14H21N3O2/c1-16(11-13-4-2-3-9-15-13)10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyLJOLGELMNVXFBN-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-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106623093
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-[(5-fluoro-2-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614171
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 106622875
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
CID 757291
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine (CID 106622922) is N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine is CN(Cc1ccc([N+](=O)[O-])cc1)CC1CCCCN1.
What is the InChIKey of N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is LJOLGELMNVXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(11-13-4-2-3-9-15-13)10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine?
N-methyl-N-[(4-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-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).