N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine

C15H23N3O2 — CID 126830526

IUPACN,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine
SMILESCN(C)C1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(16(2)3)8-10-17(11-9-15)12-13-4-6-14(7-5-13)18(19)20/h4-7H,8-12H2,1-3H3
InChIKeyHMMNMRFDJYPHDR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.51
Rot. Bonds4

About N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine

N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine (PubChem CID 126830526) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine
PubChem CID126830526
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine
SMILESCN(C)C1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(16(2)3)8-10-17(11-9-15)12-13-4-6-14(7-5-13)18(19)20/h4-7H,8-12H2,1-3H3
InChIKeyHMMNMRFDJYPHDR-UHFFFAOYSA-N
XLogP2.51
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
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

1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
3,3-difluoro-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 59410316
3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 23507712
3,3-difluoro-1-[(4-nitrophenyl)methyl]piperidine
CID 59410283
1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 787263
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 17349688
N-methyl-1-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922494
1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 882791
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine?
The IUPAC name of N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine (CID 126830526) is N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine is CN(C)C1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine?
The InChIKey is HMMNMRFDJYPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(16(2)3)8-10-17(11-9-15)12-13-4-6-14(7-5-13)18(19)20/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine?
N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 126830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).