2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine

C18H30N2O — CID 69411966

IUPAC2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
SMILESCCC1(C)CC(N)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-6-18(5)13-16(19)12-17(3,4)20(18)21-14(2)15-10-8-7-9-11-15/h7-11,14,16H,6,12-13,19H2,1-5H3
InChIKeyIYIZXZZIPGJXAD-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.05
Rot. Bonds4

About 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine

2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine (PubChem CID 69411966) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
PubChem CID69411966
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
SMILESCCC1(C)CC(N)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-6-18(5)13-16(19)12-17(3,4)20(18)21-14(2)15-10-8-7-9-11-15/h7-11,14,16H,6,12-13,19H2,1-5H3
InChIKeyIYIZXZZIPGJXAD-UHFFFAOYSA-N
XLogP4.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine?
The IUPAC name of 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine (CID 69411966) is 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine?
The canonical SMILES for 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine is CCC1(C)CC(N)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine?
The InChIKey is IYIZXZZIPGJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-18(5)13-16(19)12-17(3,4)20(18)21-14(2)15-10-8-7-9-11-15/h7-11,14,16H,6,12-13,19H2,1-5H3.
What are the key properties of 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine?
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine is sourced from PubChem (CID 69411966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).