2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine

C18H28N2O — CID 60543071

IUPAC2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine
SMILESCc1cccc(CN2CCC(N3CCOC(C)C3)CC2)c1
InChIInChI=1S/C18H28N2O/c1-15-4-3-5-17(12-15)14-19-8-6-18(7-9-19)20-10-11-21-16(2)13-20/h3-5,12,16,18H,6-11,13-14H2,1-2H3
InChIKeyLQKLWJATHQTEEJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine

2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 60543071) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine
PubChem CID60543071
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine
SMILESCc1cccc(CN2CCC(N3CCOC(C)C3)CC2)c1
InChIInChI=1S/C18H28N2O/c1-15-4-3-5-17(12-15)14-19-8-6-18(7-9-19)20-10-11-21-16(2)13-20/h3-5,12,16,18H,6-11,13-14H2,1-2H3
InChIKeyLQKLWJATHQTEEJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
CID 56792229
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
1-(2-fluorophenyl)-2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]ethanol
CID 110900534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine (CID 60543071) is 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine is Cc1cccc(CN2CCC(N3CCOC(C)C3)CC2)c1.
What is the InChIKey of 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is LQKLWJATHQTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-4-3-5-17(12-15)14-19-8-6-18(7-9-19)20-10-11-21-16(2)13-20/h3-5,12,16,18H,6-11,13-14H2,1-2H3.
What are the key properties of 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine?
2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 288.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 60543071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).