1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C20H27N3 — CID 90316616

IUPAC1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3/c1-22(2)20-10-8-18(9-11-20)21-19-12-14-23(15-13-19)16-17-6-4-3-5-7-17/h3-11,19,21H,12-16H2,1-2H3
InChIKeyXLPKJBQBUSEMCE-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.83
Rot. Bonds5

About 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 90316616) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID90316616
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3/c1-22(2)20-10-8-18(9-11-20)21-19-12-14-23(15-13-19)16-17-6-4-3-5-7-17/h3-11,19,21H,12-16H2,1-2H3
InChIKeyXLPKJBQBUSEMCE-UHFFFAOYSA-N
XLogP3.83
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
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

4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
CID 118997215
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 71496545
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 90316616) is 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is XLPKJBQBUSEMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-22(2)20-10-8-18(9-11-20)21-19-12-14-23(15-13-19)16-17-6-4-3-5-7-17/h3-11,19,21H,12-16H2,1-2H3.
What are the key properties of 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 309.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 90316616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).