4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine

C14H23N3 — CID 79708402

IUPAC4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-17(2)14-5-3-13(4-6-14)16-11-12-7-9-15-10-8-12/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyQGBJEOBFWQIVEF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.16
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine (PubChem CID 79708402) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
PubChem CID79708402
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-17(2)14-5-3-13(4-6-14)16-11-12-7-9-15-10-8-12/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyQGBJEOBFWQIVEF-UHFFFAOYSA-N
XLogP2.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
CID 83961518
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
CID 79707302
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine (CID 79708402) is 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine is CN(C)c1ccc(NCC2CCNCC2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The InChIKey is QGBJEOBFWQIVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(2)14-5-3-13(4-6-14)16-11-12-7-9-15-10-8-12/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 79708402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).