4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine

C17H26N2O — CID 95477521

IUPAC4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine
SMILESCc1cccc(C2(N3CCOCC3)CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-8-18-9-7-17)19-10-12-20-13-11-19/h3-5,18H,6-13H2,1-2H3
InChIKeyNFULOOQWVMIGNB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.21
Rot. Bonds2

About 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine

4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine (PubChem CID 95477521) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine
PubChem CID95477521
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine
SMILESCc1cccc(C2(N3CCOCC3)CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-8-18-9-7-17)19-10-12-20-13-11-19/h3-5,18H,6-13H2,1-2H3
InChIKeyNFULOOQWVMIGNB-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
CID 95477520
1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
CID 95475360
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
4-(2-methylphenyl)piperidin-4-amine
CID 70261882
8-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047381
1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683516
(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
1-[4-(4-fluorophenyl)oxan-4-yl]piperazine
CID 82303771
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine (CID 95477521) is 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine is Cc1cccc(C2(N3CCOCC3)CCNCC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine?
The InChIKey is NFULOOQWVMIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-8-18-9-7-17)19-10-12-20-13-11-19/h3-5,18H,6-13H2,1-2H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine?
4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine has a molecular weight of 274.41 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 95477521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).