N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline

C21H26N2 — CID 22766145

IUPACN,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H26N2/c1-17(18-11-13-19(14-12-18)22(2)3)20-9-5-6-10-21(20)23-15-7-4-8-16-23/h5-6,9-14H,1,4,7-8,15-16H2,2-3H3
InChIKeyPAUCTXCMEZUAGY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.80
Rot. Bonds4

About N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline

N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline (PubChem CID 22766145) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline
PubChem CID22766145
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H26N2/c1-17(18-11-13-19(14-12-18)22(2)3)20-9-5-6-10-21(20)23-15-7-4-8-16-23/h5-6,9-14H,1,4,7-8,15-16H2,2-3H3
InChIKeyPAUCTXCMEZUAGY-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline (CID 22766145) is N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline is C=C(c1ccc(N(C)C)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline?
The InChIKey is PAUCTXCMEZUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-17(18-11-13-19(14-12-18)22(2)3)20-9-5-6-10-21(20)23-15-7-4-8-16-23/h5-6,9-14H,1,4,7-8,15-16H2,2-3H3.
What are the key properties of N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline?
N,N-dimethyl-4-[1-(2-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-(2-piperidin-1-ylphenyl)ethenyl]aniline is sourced from PubChem (CID 22766145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).