3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine

C14H23N3 — CID 114502993

IUPAC3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCN(C)CC2C)c1
InChIInChI=1S/C14H23N3/c1-10-6-12(15)8-13(7-10)16-14-4-5-17(3)9-11(14)2/h6-8,11,14,16H,4-5,9,15H2,1-3H3
InChIKeyKCYODWHCNTUSTC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.33
Rot. Bonds2

About 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine

3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine (PubChem CID 114502993) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
PubChem CID114502993
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCN(C)CC2C)c1
InChIInChI=1S/C14H23N3/c1-10-6-12(15)8-13(7-10)16-14-4-5-17(3)9-11(14)2/h6-8,11,14,16H,4-5,9,15H2,1-3H3
InChIKeyKCYODWHCNTUSTC-UHFFFAOYSA-N
XLogP2.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
CID 114506746
2-bromo-4-[(1,3-dimethylpiperidin-4-yl)amino]benzenecarbothioamide
CID 107278148
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
5-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]benzonitrile
CID 114503043
2-N-(1,3-dimethylpiperidin-4-yl)-6-methylpyridine-2,5-diamine
CID 114503076
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine (CID 114502993) is 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NC2CCN(C)CC2C)c1.
What is the InChIKey of 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine?
The InChIKey is KCYODWHCNTUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-6-12(15)8-13(7-10)16-14-4-5-17(3)9-11(14)2/h6-8,11,14,16H,4-5,9,15H2,1-3H3.
What are the key properties of 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine?
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 114502993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).