[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol

C13H26N2O2 — CID 116637488

IUPAC[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
SMILESCN1CCOC(CN2CCCCCC2CO)C1
InChIInChI=1S/C13H26N2O2/c1-14-7-8-17-13(9-14)10-15-6-4-2-3-5-12(15)11-16/h12-13,16H,2-11H2,1H3
InChIKeyORRFDADUJMEGMI-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.55
Rot. Bonds3

About [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol

[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol (PubChem CID 116637488) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
PubChem CID116637488
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
SMILESCN1CCOC(CN2CCCCCC2CO)C1
InChIInChI=1S/C13H26N2O2/c1-14-7-8-17-13(9-14)10-15-6-4-2-3-5-12(15)11-16/h12-13,16H,2-11H2,1H3
InChIKeyORRFDADUJMEGMI-UHFFFAOYSA-N
XLogP0.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122
1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
CID 79559959
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
CID 79182740
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
[3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788230
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
2-[1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339594
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
CID 115824890
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
2-[cyclohexyl-[(4-methylmorpholin-2-yl)methyl]amino]ethanol
CID 112734144

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol (CID 116637488) is [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol is CN1CCOC(CN2CCCCCC2CO)C1.
What is the InChIKey of [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol?
The InChIKey is ORRFDADUJMEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-7-8-17-13(9-14)10-15-6-4-2-3-5-12(15)11-16/h12-13,16H,2-11H2,1H3.
What are the key properties of [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol?
[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol has a molecular weight of 242.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).