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

C15H25ClN2O — CID 119915967

IUPAC[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1cccc(OCCN2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-13-5-4-7-15(11-13)18-10-9-17-8-3-2-6-14(17)12-16;/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3;1H
InChIKeyQIOQHHJQAFUGCF-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.61
Rot. Bonds5

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

[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119915967) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119915967
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1cccc(OCCN2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-13-5-4-7-15(11-13)18-10-9-17-8-3-2-6-14(17)12-16;/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3;1H
InChIKeyQIOQHHJQAFUGCF-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
CID 154903203
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate
CID 19803901
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride (CID 119915967) is [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride is Cc1cccc(OCCN2CCCCC2CN)c1.Cl.
What is the InChIKey of [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is QIOQHHJQAFUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-13-5-4-7-15(11-13)18-10-9-17-8-3-2-6-14(17)12-16;/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3;1H.
What are the key properties of [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).