1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride

C17H29ClN2O2 — CID 119911329

IUPAC1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCCOc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-20-15-7-9-16(10-8-15)21-13-12-19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H
InChIKeyGJSJCGUFZQVEHZ-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.09
Rot. Bonds7

About 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119911329) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119911329
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCCOc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-20-15-7-9-16(10-8-15)21-13-12-19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H
InChIKeyGJSJCGUFZQVEHZ-UHFFFAOYSA-N
XLogP3.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
CID 120980242
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965481
1-[2-(4-ethoxyphenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031605
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
CID 170886095

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119911329) is 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is CCOc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl.
What is the InChIKey of 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is GJSJCGUFZQVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-3-20-15-7-9-16(10-8-15)21-13-12-19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H.
What are the key properties of 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).