(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride

C19H31ClN2O2 — CID 120966660

IUPAC(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
SMILESCOCc1cccc(OCC2(CN3CCNC[C@H]3C)CCC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-16-12-20-9-10-21(16)14-19(7-4-8-19)15-23-18-6-3-5-17(11-18)13-22-2;/h3,5-6,11,16,20H,4,7-10,12-15H2,1-2H3;1H/t16-;/m1./s1
InChIKeyVNUOTCZTHJXFBD-PKLMIRHRSA-N
MW354.92 g/mol
LogP3.10
Rot. Bonds7

About (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride

(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120966660) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
PubChem CID120966660
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
SMILESCOCc1cccc(OCC2(CN3CCNC[C@H]3C)CCC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-16-12-20-9-10-21(16)14-19(7-4-8-19)15-23-18-6-3-5-17(11-18)13-22-2;/h3,5-6,11,16,20H,4,7-10,12-15H2,1-2H3;1H/t16-;/m1./s1
InChIKeyVNUOTCZTHJXFBD-PKLMIRHRSA-N
XLogP3.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
CID 120965786
(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
CID 120967118
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314
4-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-[(S)-methylsulfinyl]-1,2,4-triazole
CID 97063143
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
CID 120966267
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
(2S)-1-[3-(3-iodophenoxy)propyl]-2-methylpiperazine;dihydrochloride
CID 170453950
3-cyclopropyl-4-ethyl-5-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methylsulfanyl]-1,2,4-triazole
CID 71905891
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride (CID 120966660) is (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride is COCc1cccc(OCC2(CN3CCNC[C@H]3C)CCC2)c1.Cl.
What is the InChIKey of (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is VNUOTCZTHJXFBD-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-16-12-20-9-10-21(16)14-19(7-4-8-19)15-23-18-6-3-5-17(11-18)13-22-2;/h3,5-6,11,16,20H,4,7-10,12-15H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120966660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).