4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine

C13H21N3 — CID 121430066

IUPAC4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)C1(C)CCNCC1
InChIInChI=1S/C13H21N3/c1-13(7-9-15-10-8-13)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-10,14H2,1-2H3
InChIKeyATRLOODAEGGJMB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.85
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine

4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine (PubChem CID 121430066) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine
PubChem CID121430066
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)C1(C)CCNCC1
InChIInChI=1S/C13H21N3/c1-13(7-9-15-10-8-13)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-10,14H2,1-2H3
InChIKeyATRLOODAEGGJMB-UHFFFAOYSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethylpiperidin-4-amine;dihydrochloride
CID 57481577
4-(3-methylpyrrolidin-3-yl)aniline
CID 117050230
N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline
CID 63122740
N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
CID 126549261
4-N-methyl-4-N-(2-sulfonylethyl)benzene-1,4-diamine
CID 54222580
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
N-[4-[(4-aminophenyl)methyl]phenyl]-2-methyl-N-(2-methyloxiran-2-yl)oxiran-2-amine
CID 139804118
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 104698574
aniline;piperazine
CID 162139088
N-(4-aminophenyl)-N-methylformamide
CID 19983561
5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine
CID 115015720
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine (CID 121430066) is 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine is CN(c1ccc(N)cc1)C1(C)CCNCC1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine?
The InChIKey is ATRLOODAEGGJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(7-9-15-10-8-13)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-10,14H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine?
4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 121430066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).