N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline

C18H30N2 — CID 63503641

IUPACN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline
SMILESCCC1(CC)CCN(CCNc2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)10-13-20(14-11-18)15-12-19-17-8-6-16(3)7-9-17/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyJWLTZKDTRNRXQI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline

N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline (PubChem CID 63503641) 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)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline
PubChem CID63503641
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline
SMILESCCC1(CC)CCN(CCNc2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)10-13-20(14-11-18)15-12-19-17-8-6-16(3)7-9-17/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyJWLTZKDTRNRXQI-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline (CID 63503641) is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline is CCC1(CC)CCN(CCNc2ccc(C)cc2)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline?
The InChIKey is JWLTZKDTRNRXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(5-2)10-13-20(14-11-18)15-12-19-17-8-6-16(3)7-9-17/h6-9,19H,4-5,10-15H2,1-3H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline?
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.31, 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)ethyl]-4-methylaniline is sourced from PubChem (CID 63503641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).