4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline

C16H22N4 — CID 123713425

IUPAC4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(N2CCC(n3ccnc3)CC2)cc1
InChIInChI=1S/C16H22N4/c1-18(2)14-3-5-15(6-4-14)19-10-7-16(8-11-19)20-12-9-17-13-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyMWCVNQSGRFLXHV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.79
Rot. Bonds3

About 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline

4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline (PubChem CID 123713425) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline
PubChem CID123713425
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(N2CCC(n3ccnc3)CC2)cc1
InChIInChI=1S/C16H22N4/c1-18(2)14-3-5-15(6-4-14)19-10-7-16(8-11-19)20-12-9-17-13-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyMWCVNQSGRFLXHV-UHFFFAOYSA-N
XLogP2.79
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine
CID 133301034
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
1-[4-(dimethylamino)phenyl]-N-ethylpiperidin-4-amine
CID 43617126
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 133279853
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
CID 133279857
2-(4-imidazol-1-ylpiperidin-1-yl)-3-propan-2-yloxypyrazine
CID 133443000
4-imidazol-1-ylpiperidine-1-carbaldehyde
CID 56980966

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline (CID 123713425) is 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline is CN(C)c1ccc(N2CCC(n3ccnc3)CC2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline?
The InChIKey is MWCVNQSGRFLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-18(2)14-3-5-15(6-4-14)19-10-7-16(8-11-19)20-12-9-17-13-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3.
What are the key properties of 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline?
4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 123713425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).