1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine

C14H21N3O2 — CID 114504643

IUPAC1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1C
InChIInChI=1S/C14H21N3O2/c1-10-8-12(17(18)19)4-5-13(10)15-14-6-7-16(3)9-11(14)2/h4-5,8,11,14-15H,6-7,9H2,1-3H3
InChIKeyPKGZGRIARAMVDU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds3

About 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine

1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine (PubChem CID 114504643) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
PubChem CID114504643
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1C
InChIInChI=1S/C14H21N3O2/c1-10-8-12(17(18)19)4-5-13(10)15-14-6-7-16(3)9-11(14)2/h4-5,8,11,14-15H,6-7,9H2,1-3H3
InChIKeyPKGZGRIARAMVDU-UHFFFAOYSA-N
XLogP2.66
TPSA58.41 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 ≤ 52.66
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

1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114504833
2-methyl-N-(2-methyl-4-nitrophenyl)thiolan-3-amine
CID 114080058
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
CID 114504788
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
N-(1,3-dimethylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 115598638
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine (CID 114504643) is 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine is Cc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The InChIKey is PKGZGRIARAMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-12(17(18)19)4-5-13(10)15-14-6-7-16(3)9-11(14)2/h4-5,8,11,14-15H,6-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 114504643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).