N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline

C18H30N2 — CID 63503487

IUPACN-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
SMILESCCC1(CC)CCN(C(C)CNc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)11-13-20(14-12-18)16(3)15-19-17-9-7-6-8-10-17/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyXNVIHBVXLSLWNL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline

N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline (PubChem CID 63503487) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
PubChem CID63503487
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
SMILESCCC1(CC)CCN(C(C)CNc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)11-13-20(14-12-18)16(3)15-19-17-9-7-6-8-10-17/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyXNVIHBVXLSLWNL-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
CID 62930831
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 55089337
N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine
CID 55196839
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
CID 104961099
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
CID 79170317
N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
CID 62568875
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
2-[1-(4,4-diethylpiperidin-1-yl)ethyl]benzene-1,3-diol
CID 107711919
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline (CID 63503487) is N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline is CCC1(CC)CCN(C(C)CNc2ccccc2)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The InChIKey is XNVIHBVXLSLWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(5-2)11-13-20(14-12-18)16(3)15-19-17-9-7-6-8-10-17/h6-10,16,19H,4-5,11-15H2,1-3H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline?
N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 63503487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).