N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine

C16H26N2O — CID 164750088

IUPACN,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine
SMILESC[C@H]1CC[C@H](c2cccc(OCCN(C)C)c2)NC1
InChIInChI=1S/C16H26N2O/c1-13-7-8-16(17-12-13)14-5-4-6-15(11-14)19-10-9-18(2)3/h4-6,11,13,16-17H,7-10,12H2,1-3H3/t13-,16+/m0/s1
InChIKeyVOCJJIZLNZJMPV-XJKSGUPXSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine

N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine (PubChem CID 164750088) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine
PubChem CID164750088
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine
SMILESC[C@H]1CC[C@H](c2cccc(OCCN(C)C)c2)NC1
InChIInChI=1S/C16H26N2O/c1-13-7-8-16(17-12-13)14-5-4-6-15(11-14)19-10-9-18(2)3/h4-6,11,13,16-17H,7-10,12H2,1-3H3/t13-,16+/m0/s1
InChIKeyVOCJJIZLNZJMPV-XJKSGUPXSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
CID 164750242
(2S)-2-(3-butoxyphenyl)aziridine
CID 55262562
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-[[1-[3-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropan-1-amine
CID 4001173
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211952

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine (CID 164750088) is N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine is C[C@H]1CC[C@H](c2cccc(OCCN(C)C)c2)NC1.
What is the InChIKey of N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine?
The InChIKey is VOCJJIZLNZJMPV-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-7-8-16(17-12-13)14-5-4-6-15(11-14)19-10-9-18(2)3/h4-6,11,13,16-17H,7-10,12H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 164750088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).