[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine

C17H28N2O2 — CID 115963611

IUPAC[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CCOc2cc(C)cc(C)c2)C(CN)C1
InChIInChI=1S/C17H28N2O2/c1-13-8-14(2)10-17(9-13)21-7-6-19-5-4-16(20-3)11-15(19)12-18/h8-10,15-16H,4-7,11-12,18H2,1-3H3
InChIKeyZCDMBPAXQQCFQO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.12
Rot. Bonds6

About [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine

[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 115963611) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID115963611
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CCOc2cc(C)cc(C)c2)C(CN)C1
InChIInChI=1S/C17H28N2O2/c1-13-8-14(2)10-17(9-13)21-7-6-19-5-4-16(20-3)11-15(19)12-18/h8-10,15-16H,4-7,11-12,18H2,1-3H3
InChIKeyZCDMBPAXQQCFQO-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963795
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 112622641
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
[4-methoxy-1-(4,4,4-trifluorobutyl)piperidin-2-yl]methanamine
CID 112622508
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 112622698
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
CID 112622527
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine (CID 115963611) is [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(CCOc2cc(C)cc(C)c2)C(CN)C1.
What is the InChIKey of [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is ZCDMBPAXQQCFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-8-14(2)10-17(9-13)21-7-6-19-5-4-16(20-3)11-15(19)12-18/h8-10,15-16H,4-7,11-12,18H2,1-3H3.
What are the key properties of [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 292.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 115963611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).