[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride

C16H27ClN2O2 — CID 119915656

IUPAC[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCCOc1ccc(OCCN2CCCC(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-7-16(8-6-15)20-11-10-18-9-3-4-14(12-17)13-18;/h5-8,14H,2-4,9-13,17H2,1H3;1H
InChIKeyKIXPIHOFRMOXPP-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.56
Rot. Bonds7

About [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride

[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915656) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915656
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCCOc1ccc(OCCN2CCCC(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-7-16(8-6-15)20-11-10-18-9-3-4-14(12-17)13-18;/h5-8,14H,2-4,9-13,17H2,1H3;1H
InChIKeyKIXPIHOFRMOXPP-UHFFFAOYSA-N
XLogP2.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915656) is [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride is CCOc1ccc(OCCN2CCCC(CN)C2)cc1.Cl.
What is the InChIKey of [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is KIXPIHOFRMOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-2-19-15-5-7-16(8-6-15)20-11-10-18-9-3-4-14(12-17)13-18;/h5-8,14H,2-4,9-13,17H2,1H3;1H.
What are the key properties of [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).