3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine

C14H21N3O2 — CID 79880151

IUPAC3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCC1CN(C(C)c2ccc([N+](=O)[O-])cc2)CCC1N
InChIInChI=1S/C14H21N3O2/c1-10-9-16(8-7-14(10)15)11(2)12-3-5-13(6-4-12)17(18)19/h3-6,10-11,14H,7-9,15H2,1-2H3
InChIKeyAMOOLVMUSFOGIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.32
Rot. Bonds3

About 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine

3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine (PubChem CID 79880151) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
PubChem CID79880151
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
SMILESCC1CN(C(C)c2ccc([N+](=O)[O-])cc2)CCC1N
InChIInChI=1S/C14H21N3O2/c1-10-9-16(8-7-14(10)15)11(2)12-3-5-13(6-4-12)17(18)19/h3-6,10-11,14H,7-9,15H2,1-2H3
InChIKeyAMOOLVMUSFOGIH-UHFFFAOYSA-N
XLogP2.32
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.32
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-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 79879111
3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 81456943
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
(4-amino-3-methylpiperidin-1-yl)-(4-nitrophenyl)methanone;hydrochloride
CID 119592233
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
4-methyl-1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 103575508
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
1-[(1R)-1-(4-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171285206

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine (CID 79880151) is 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine is CC1CN(C(C)c2ccc([N+](=O)[O-])cc2)CCC1N.
What is the InChIKey of 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine?
The InChIKey is AMOOLVMUSFOGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-16(8-7-14(10)15)11(2)12-3-5-13(6-4-12)17(18)19/h3-6,10-11,14H,7-9,15H2,1-2H3.
What are the key properties of 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine?
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79880151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).