[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride

C16H28Cl2N2O2 — CID 154903203

IUPAC[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
SMILESCOc1cc(C)ccc1OCCN1CCCCC1CN.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-6-7-15(16(11-13)19-2)20-10-9-18-8-4-3-5-14(18)12-17;;/h6-7,11,14H,3-5,8-10,12,17H2,1-2H3;2*1H
InChIKeyDYBCYQJVHBJLQY-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.04
Rot. Bonds6

About [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride

[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride (PubChem CID 154903203) has the molecular formula C16H28Cl2N2O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
PubChem CID154903203
Molecular FormulaC16H28Cl2N2O2
Molecular Weight351.32 g/mol
Exact Mass350.15
IUPAC Name[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
SMILESCOc1cc(C)ccc1OCCN1CCCCC1CN.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-6-7-15(16(11-13)19-2)20-10-9-18-8-4-3-5-14(18)12-17;;/h6-7,11,14H,3-5,8-10,12,17H2,1-2H3;2*1H
InChIKeyDYBCYQJVHBJLQY-UHFFFAOYSA-N
XLogP3.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
CID 134712618
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
CID 91509694
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
(2S)-1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75430248
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
[1-[(2-methoxy-5-nitrophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916181

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride (CID 154903203) is [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride is COc1cc(C)ccc1OCCN1CCCCC1CN.Cl.Cl.
What is the InChIKey of [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride?
The InChIKey is DYBCYQJVHBJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.2ClH/c1-13-6-7-15(16(11-13)19-2)20-10-9-18-8-4-3-5-14(18)12-17;;/h6-7,11,14H,3-5,8-10,12,17H2,1-2H3;2*1H.
What are the key properties of [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride?
[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 154903203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).