2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine

C16H25N3O — CID 174742097

IUPAC2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
SMILESCc1cc(C2CNCCO2)ccc1CN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-13-10-14(16-11-18-6-9-20-16)2-3-15(13)12-19-7-4-17-5-8-19/h2-3,10,16-18H,4-9,11-12H2,1H3
InChIKeyITOVLBMLJJOIRT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.06
Rot. Bonds3

About 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine

2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine (PubChem CID 174742097) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
PubChem CID174742097
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
SMILESCc1cc(C2CNCCO2)ccc1CN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-13-10-14(16-11-18-6-9-20-16)2-3-15(13)12-19-7-4-17-5-8-19/h2-3,10,16-18H,4-9,11-12H2,1H3
InChIKeyITOVLBMLJJOIRT-UHFFFAOYSA-N
XLogP1.06
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117446560
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-[3-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117405596
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine?
The IUPAC name of 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine (CID 174742097) is 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine?
The canonical SMILES for 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine is Cc1cc(C2CNCCO2)ccc1CN1CCNCC1.
What is the InChIKey of 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine?
The InChIKey is ITOVLBMLJJOIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-10-14(16-11-18-6-9-20-16)2-3-15(13)12-19-7-4-17-5-8-19/h2-3,10,16-18H,4-9,11-12H2,1H3.
What are the key properties of 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine?
2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine has a molecular weight of 275.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 174742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).