[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride

C15H25ClN2O2 — CID 119915924

IUPAC[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1OCCN1CCCC(CN)C1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-18-14-6-2-3-7-15(14)19-10-9-17-8-4-5-13(11-16)12-17;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H
InChIKeyPIILWFKWSIQWMV-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.17
Rot. Bonds6

About [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride

[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915924) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915924
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1OCCN1CCCC(CN)C1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-18-14-6-2-3-7-15(14)19-10-9-17-8-4-5-13(11-16)12-17;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H
InChIKeyPIILWFKWSIQWMV-UHFFFAOYSA-N
XLogP2.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[1-[2-(2-methoxyphenoxy)ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953603
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915924) is [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride is COc1ccccc1OCCN1CCCC(CN)C1.Cl.
What is the InChIKey of [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is PIILWFKWSIQWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-18-14-6-2-3-7-15(14)19-10-9-17-8-4-5-13(11-16)12-17;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H.
What are the key properties of [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).