2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine

C14H21N3O2 — CID 83006812

IUPAC2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O2/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(9-7-13)17(18)19/h6-9,11-12,15H,3-5,10H2,1-2H3
InChIKeyLNFHTALTSQTGGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.86
Rot. Bonds4

About 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine

2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine (PubChem CID 83006812) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
PubChem CID83006812
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O2/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(9-7-13)17(18)19/h6-9,11-12,15H,3-5,10H2,1-2H3
InChIKeyLNFHTALTSQTGGU-UHFFFAOYSA-N
XLogP2.86
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.86
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-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
N-[(2-bromo-4-nitrophenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021877
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-nitrophenyl)urea
CID 39388369
2-methyl-N-[(4-nitrophenyl)methyl]thian-3-amine
CID 79957396
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906
5-methyl-N-[(4-nitrophenyl)methyl]thiolan-3-amine
CID 79941551
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
N-[(4-nitrophenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073362
2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
CID 83006911
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909
4-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine;dihydrochloride
CID 86277411

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine (CID 83006812) is 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine is CC1CCCC(C)N1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine?
The InChIKey is LNFHTALTSQTGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(9-7-13)17(18)19/h6-9,11-12,15H,3-5,10H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine?
2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83006812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).