[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine

C20H34N4O — CID 99953156

IUPAC[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
SMILESCN1CCN(CCOc2ccccc2CN2CCCC[C@@H]2CN)CC1
InChIInChI=1S/C20H34N4O/c1-22-10-12-23(13-11-22)14-15-25-20-8-3-2-6-18(20)17-24-9-5-4-7-19(24)16-21/h2-3,6,8,19H,4-5,7,9-17,21H2,1H3/t19-/m1/s1
InChIKeyDMUDIEIVRIWFSB-LJQANCHMSA-N
MW346.52 g/mol
LogP1.63
Rot. Bonds7

About [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine

[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 99953156) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID99953156
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
SMILESCN1CCN(CCOc2ccccc2CN2CCCC[C@@H]2CN)CC1
InChIInChI=1S/C20H34N4O/c1-22-10-12-23(13-11-22)14-15-25-20-8-3-2-6-18(20)17-24-9-5-4-7-19(24)16-21/h2-3,6,8,19H,4-5,7,9-17,21H2,1H3/t19-/m1/s1
InChIKeyDMUDIEIVRIWFSB-LJQANCHMSA-N
XLogP1.63
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 99927817
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
CID 124750935
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
(1R,5S)-3-methyl-6-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133133786
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115311651
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
(1S,5S)-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74241524

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine (CID 99953156) is [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine is CN1CCN(CCOc2ccccc2CN2CCCC[C@@H]2CN)CC1.
What is the InChIKey of [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is DMUDIEIVRIWFSB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H34N4O/c1-22-10-12-23(13-11-22)14-15-25-20-8-3-2-6-18(20)17-24-9-5-4-7-19(24)16-21/h2-3,6,8,19H,4-5,7,9-17,21H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine?
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine has a molecular weight of 346.52 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 99953156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).