4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride

C17H27ClN2O2 — CID 120903409

IUPAC4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride
SMILESCC1(CN2CCOC(COc3ccccc3)C2)CCNC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(7-8-18-13-17)14-19-9-10-20-16(11-19)12-21-15-5-3-2-4-6-15;/h2-6,16,18H,7-14H2,1H3;1H
InChIKeyFZBPCEWBIUPDKU-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.19
Rot. Bonds5

About 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride

4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride (PubChem CID 120903409) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride
PubChem CID120903409
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride
SMILESCC1(CN2CCOC(COc3ccccc3)C2)CCNC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(7-8-18-13-17)14-19-9-10-20-16(11-19)12-21-15-5-3-2-4-6-15;/h2-6,16,18H,7-14H2,1H3;1H
InChIKeyFZBPCEWBIUPDKU-UHFFFAOYSA-N
XLogP2.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
CID 120902311
2-(cyclopropylmethoxymethyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120904715
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine;hydrochloride
CID 120900223
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120903950
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
6-[[2-(phenoxymethyl)morpholin-4-yl]methyl]pyridazin-3-amine
CID 136570310
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride?
The IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride (CID 120903409) is 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride?
The canonical SMILES for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride is CC1(CN2CCOC(COc3ccccc3)C2)CCNC1.Cl.
What is the InChIKey of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride?
The InChIKey is FZBPCEWBIUPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-17(7-8-18-13-17)14-19-9-10-20-16(11-19)12-21-15-5-3-2-4-6-15;/h2-6,16,18H,7-14H2,1H3;1H.
What are the key properties of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride?
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride is sourced from PubChem (CID 120903409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).