N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline

C18H30N2O — CID 43739139

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
SMILESCCN1CCC(C(C)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-5-20-12-10-16(11-13-20)15(4)19-17-8-6-7-9-18(17)21-14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3
InChIKeyVNOFEGDZNWUGET-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline (PubChem CID 43739139) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
PubChem CID43739139
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
SMILESCCN1CCC(C(C)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-5-20-12-10-16(11-13-20)15(4)19-17-8-6-7-9-18(17)21-14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3
InChIKeyVNOFEGDZNWUGET-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726410
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715846

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline (CID 43739139) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline is CCN1CCC(C(C)Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline?
The InChIKey is VNOFEGDZNWUGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-20-12-10-16(11-13-20)15(4)19-17-8-6-7-9-18(17)21-14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline has a molecular weight of 290.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 43739139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).