2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine

C18H35N3O — CID 120899327

IUPAC2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
SMILESCC1CN(CC2CCN(CC3(C)CCNC3)CC2)CC(C)O1
InChIInChI=1S/C18H35N3O/c1-15-10-21(11-16(2)22-15)12-17-4-8-20(9-5-17)14-18(3)6-7-19-13-18/h15-17,19H,4-14H2,1-3H3
InChIKeyWGNKIMHJNNQPNV-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.81
Rot. Bonds4

About 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine

2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 120899327) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
PubChem CID120899327
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
SMILESCC1CN(CC2CCN(CC3(C)CCNC3)CC2)CC(C)O1
InChIInChI=1S/C18H35N3O/c1-15-10-21(11-16(2)22-15)12-17-4-8-20(9-5-17)14-18(3)6-7-19-13-18/h15-17,19H,4-14H2,1-3H3
InChIKeyWGNKIMHJNNQPNV-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120899235
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
[6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methanol;hydrochloride
CID 120904966
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182
ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
CID 120898616
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine (CID 120899327) is 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine is CC1CN(CC2CCN(CC3(C)CCNC3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is WGNKIMHJNNQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-15-10-21(11-16(2)22-15)12-17-4-8-20(9-5-17)14-18(3)6-7-19-13-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine?
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 309.50 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 120899327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).