1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine

C15H25N3 — CID 54975690

IUPAC1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(N(C)C)cc2)CC1C
InChIInChI=1S/C15H25N3/c1-12-11-18(10-9-15(12)16-2)14-7-5-13(6-8-14)17(3)4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyLOKYWIBDDRIPSH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine

1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 54975690) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine
PubChem CID54975690
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(N(C)C)cc2)CC1C
InChIInChI=1S/C15H25N3/c1-12-11-18(10-9-15(12)16-2)14-7-5-13(6-8-14)17(3)4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyLOKYWIBDDRIPSH-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.19
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

1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine
CID 114262216
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
N,3-dimethyl-1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779493
1-[4-(dimethylamino)phenyl]-N-ethylpiperidin-4-amine
CID 43617126
3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 54975533
1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975731
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
1-(3-butan-2-yloxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 62329601
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 54973015

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine (CID 54975690) is 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine is CNC1CCN(c2ccc(N(C)C)cc2)CC1C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is LOKYWIBDDRIPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-11-18(10-9-15(12)16-2)14-7-5-13(6-8-14)17(3)4/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine?
1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 54975690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).