4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline

C19H30N2 — CID 146582943

IUPAC4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline
SMILESC=C(c1ccc(N)cc1)N1CCC(CCCC(C)C)CC1
InChIInChI=1S/C19H30N2/c1-15(2)5-4-6-17-11-13-21(14-12-17)16(3)18-7-9-19(20)10-8-18/h7-10,15,17H,3-6,11-14,20H2,1-2H3
InChIKeyGDTKBGUONQMFME-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.78
Rot. Bonds6

About 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline

4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline (PubChem CID 146582943) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline
PubChem CID146582943
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline
SMILESC=C(c1ccc(N)cc1)N1CCC(CCCC(C)C)CC1
InChIInChI=1S/C19H30N2/c1-15(2)5-4-6-17-11-13-21(14-12-17)16(3)18-7-9-19(20)10-8-18/h7-10,15,17H,3-6,11-14,20H2,1-2H3
InChIKeyGDTKBGUONQMFME-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
4-methylpentylcyclopentane
CID 523530
2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide
CID 170127748
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine
CID 164552160
2-[4-(4-methylpentyl)piperidin-1-yl]ethyl nitrate
CID 58782346
4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide
CID 173073611
bis(4-aminobenzoic acid);butane-1,1-diol
CID 66968350
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline?
The IUPAC name of 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline (CID 146582943) is 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline.
What is the SMILES notation for 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline?
The canonical SMILES for 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline is C=C(c1ccc(N)cc1)N1CCC(CCCC(C)C)CC1.
What is the InChIKey of 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline?
The InChIKey is GDTKBGUONQMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)5-4-6-17-11-13-21(14-12-17)16(3)18-7-9-19(20)10-8-18/h7-10,15,17H,3-6,11-14,20H2,1-2H3.
What are the key properties of 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline?
4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline has a molecular weight of 286.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline is sourced from PubChem (CID 146582943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).