N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline

C21H26N2 — CID 19868016

IUPACN,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26N2/c1-17(18-7-11-20(12-8-18)22(2)3)19-9-13-21(14-10-19)23-15-5-4-6-16-23/h7-14H,1,4-6,15-16H2,2-3H3
InChIKeyNMKUMLBXODTVGZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.80
Rot. Bonds4

About N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline

N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline (PubChem CID 19868016) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
PubChem CID19868016
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26N2/c1-17(18-7-11-20(12-8-18)22(2)3)19-9-13-21(14-10-19)23-15-5-4-6-16-23/h7-14H,1,4-6,15-16H2,2-3H3
InChIKeyNMKUMLBXODTVGZ-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline
CID 22766145
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
CID 82114402
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
CID 14343976
4-(1-cyclopropylethenyl)-N,N-dimethylaniline
CID 168864381
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline (CID 19868016) is N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline is C=C(c1ccc(N(C)C)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline?
The InChIKey is NMKUMLBXODTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-17(18-7-11-20(12-8-18)22(2)3)19-9-13-21(14-10-19)23-15-5-4-6-16-23/h7-14H,1,4-6,15-16H2,2-3H3.
What are the key properties of N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline?
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline has a molecular weight of 306.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline is sourced from PubChem (CID 19868016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).