N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine

C15H23N3O2 — CID 62535959

IUPACN-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine
SMILESCCC(c1cccc([N+](=O)[O-])c1)N1CCCC(NC)C1
InChIInChI=1S/C15H23N3O2/c1-3-15(17-9-5-7-13(11-17)16-2)12-6-4-8-14(10-12)18(19)20/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3
InChIKeyBLEYFYFTEOVNAZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine

N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine (PubChem CID 62535959) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine
PubChem CID62535959
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine
SMILESCCC(c1cccc([N+](=O)[O-])c1)N1CCCC(NC)C1
InChIInChI=1S/C15H23N3O2/c1-3-15(17-9-5-7-13(11-17)16-2)12-6-4-8-14(10-12)18(19)20/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3
InChIKeyBLEYFYFTEOVNAZ-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'}

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Related Compounds

1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
1-[1-(3-nitrophenyl)propyl]piperazine
CID 54914405
1-[(1R)-1-(3-nitrophenyl)propyl]piperazine
CID 93464473
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
CID 61212967
N-methyl-1-[(3-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119918159
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 81456943

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine (CID 62535959) is N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine is CCC(c1cccc([N+](=O)[O-])c1)N1CCCC(NC)C1.
What is the InChIKey of N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine?
The InChIKey is BLEYFYFTEOVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-15(17-9-5-7-13(11-17)16-2)12-6-4-8-14(10-12)18(19)20/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine?
N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine 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-[1-(3-nitrophenyl)propyl]piperidin-3-amine is sourced from PubChem (CID 62535959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).