6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine

C15H29ClN2O — CID 114015270

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
SMILESCN1CCCCC1CCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C15H29ClN2O/c1-15(2)12-18(11-14(10-16)19-15)9-7-13-6-4-5-8-17(13)3/h13-14H,4-12H2,1-3H3
InChIKeyZGGFEKWGTJQTNY-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.58
Rot. Bonds4

About 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine (PubChem CID 114015270) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
PubChem CID114015270
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
SMILESCN1CCCCC1CCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C15H29ClN2O/c1-15(2)12-18(11-14(10-16)19-15)9-7-13-6-4-5-8-17(13)3/h13-14H,4-12H2,1-3H3
InChIKeyZGGFEKWGTJQTNY-UHFFFAOYSA-N
XLogP2.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6,6-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholin-2-yl]methanamine
CID 107914161
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107897805
6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
CID 103140049
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
2,2-dimethyl-6-[2-(1-methylpiperidin-2-yl)ethoxymethyl]morpholine
CID 107912985

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine (CID 114015270) is 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine is CN1CCCCC1CCN1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine?
The InChIKey is ZGGFEKWGTJQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN2O/c1-15(2)12-18(11-14(10-16)19-15)9-7-13-6-4-5-8-17(13)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine has a molecular weight of 288.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine is sourced from PubChem (CID 114015270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).