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

C17H26N2O — CID 172905640

IUPAC4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
SMILESCc1cccc(CN2CCCC(N3CCOCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-15-4-2-5-16(12-15)13-18-7-3-6-17(14-18)19-8-10-20-11-9-19/h2,4-5,12,17H,3,6-11,13-14H2,1H3
InChIKeyGMXGJWRPVIYJIO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.29
Rot. Bonds3

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

4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine (PubChem CID 172905640) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
PubChem CID172905640
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
SMILESCc1cccc(CN2CCCC(N3CCOCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-15-4-2-5-16(12-15)13-18-7-3-6-17(14-18)19-8-10-20-11-9-19/h2,4-5,12,17H,3,6-11,13-14H2,1H3
InChIKeyGMXGJWRPVIYJIO-UHFFFAOYSA-N
XLogP2.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]morpholine
CID 92641147
2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 60543071
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
4-[3-[3-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]phenoxy]propyl]morpholine
CID 99928489
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine (CID 172905640) is 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine is Cc1cccc(CN2CCCC(N3CCOCC3)C2)c1.
What is the InChIKey of 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine?
The InChIKey is GMXGJWRPVIYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15-4-2-5-16(12-15)13-18-7-3-6-17(14-18)19-8-10-20-11-9-19/h2,4-5,12,17H,3,6-11,13-14H2,1H3.
What are the key properties of 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine?
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine has a molecular weight of 274.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 172905640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).