(3-methylmorpholin-3-yl)methanol;hydrochloride

C6H14ClNO2 — CID 71758590

IUPAC(3-methylmorpholin-3-yl)methanol;hydrochloride
SMILESCC1(CO)COCCN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(4-8)5-9-3-2-7-6;/h7-8H,2-5H2,1H3;1H
InChIKeyVEDJNMDZCWVODJ-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds1

About (3-methylmorpholin-3-yl)methanol;hydrochloride

(3-methylmorpholin-3-yl)methanol;hydrochloride (PubChem CID 71758590) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3-methylmorpholin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-methylmorpholin-3-yl)methanol;hydrochloride
PubChem CID71758590
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3-methylmorpholin-3-yl)methanol;hydrochloride
SMILESCC1(CO)COCCN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(4-8)5-9-3-2-7-6;/h7-8H,2-5H2,1H3;1H
InChIKeyVEDJNMDZCWVODJ-UHFFFAOYSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-3-yl)methanol;hydrochloride?
The IUPAC name of (3-methylmorpholin-3-yl)methanol;hydrochloride (CID 71758590) is (3-methylmorpholin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-methylmorpholin-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-methylmorpholin-3-yl)methanol;hydrochloride is CC1(CO)COCCN1.Cl.
What is the InChIKey of (3-methylmorpholin-3-yl)methanol;hydrochloride?
The InChIKey is VEDJNMDZCWVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(4-8)5-9-3-2-7-6;/h7-8H,2-5H2,1H3;1H.
What are the key properties of (3-methylmorpholin-3-yl)methanol;hydrochloride?
(3-methylmorpholin-3-yl)methanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 71758590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).