N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline

C21H36N2 — CID 174155713

IUPACN,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
SMILESCCCCN(CCCC)c1ccc(N2CCC(CC)CC2)cc1
InChIInChI=1S/C21H36N2/c1-4-7-15-22(16-8-5-2)20-9-11-21(12-10-20)23-17-13-19(6-3)14-18-23/h9-12,19H,4-8,13-18H2,1-3H3
InChIKeyFKNPLXFECHWEGT-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.72
Rot. Bonds9

About N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline

N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline (PubChem CID 174155713) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
PubChem CID174155713
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC NameN,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
SMILESCCCCN(CCCC)c1ccc(N2CCC(CC)CC2)cc1
InChIInChI=1S/C21H36N2/c1-4-7-15-22(16-8-5-2)20-9-11-21(12-10-20)23-17-13-19(6-3)14-18-23/h9-12,19H,4-8,13-18H2,1-3H3
InChIKeyFKNPLXFECHWEGT-UHFFFAOYSA-N
XLogP5.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[1-[4-(dibutylamino)phenyl]piperidin-4-yl]acetate
CID 167031186
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
[4-[4-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]phenyl]piperazin-1-yl]phenyl]-diphenylsulfanium
CID 59850647
butyl 4-(4-ethylpiperidin-1-yl)benzoate
CID 156711589
2-[4-(dibutylamino)-2-methylphenyl]-4-[4-[4-[4-[3-[4-(dibutylamino)-2-methylphenyl]-2,4-dihydroxycyclobutyl]phenyl]piperazin-1-yl]phenyl]cyclobutane-1,3-diol
CID 153206577
(4aR,8aS)-2-(4-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;N,N-dibutyl-4-nitroaniline;5-ethyl-2-methyl-1-(4-nitrophenyl)piperidine;2-methyl-1-(4-nitrophenyl)pyrrolidine
CID 159783822
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
5-(4-ethylpiperidin-1-yl)-N,N-dimethylpyridin-2-amine
CID 126717118

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline?
The IUPAC name of N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline (CID 174155713) is N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline.
What is the SMILES notation for N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline?
The canonical SMILES for N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline is CCCCN(CCCC)c1ccc(N2CCC(CC)CC2)cc1.
What is the InChIKey of N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline?
The InChIKey is FKNPLXFECHWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-4-7-15-22(16-8-5-2)20-9-11-21(12-10-20)23-17-13-19(6-3)14-18-23/h9-12,19H,4-8,13-18H2,1-3H3.
What are the key properties of N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline?
N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline has a molecular weight of 316.53 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline is sourced from PubChem (CID 174155713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).