4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol

C15H30N2O2 — CID 110931949

IUPAC4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
SMILESCC1CN(CC2CCCN2CCCCO)CC(C)O1
InChIInChI=1S/C15H30N2O2/c1-13-10-16(11-14(2)19-13)12-15-6-5-8-17(15)7-3-4-9-18/h13-15,18H,3-12H2,1-2H3
InChIKeyGIYDJAUAVAWUIB-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.33
Rot. Bonds6

About 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol

4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol (PubChem CID 110931949) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
PubChem CID110931949
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
SMILESCC1CN(CC2CCCN2CCCCO)CC(C)O1
InChIInChI=1S/C15H30N2O2/c1-13-10-16(11-14(2)19-13)12-15-6-5-8-17(15)7-3-4-9-18/h13-15,18H,3-12H2,1-2H3
InChIKeyGIYDJAUAVAWUIB-UHFFFAOYSA-N
XLogP1.33
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111332764
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
5-[2-(morpholin-4-ylmethyl)piperidin-1-yl]pentan-1-ol
CID 111489845
(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
CID 98786803
(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
CID 124867185
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56525850
3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182
3-amino-1-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692187
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol?
The IUPAC name of 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol (CID 110931949) is 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol is CC1CN(CC2CCCN2CCCCO)CC(C)O1.
What is the InChIKey of 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol?
The InChIKey is GIYDJAUAVAWUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13-10-16(11-14(2)19-13)12-15-6-5-8-17(15)7-3-4-9-18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol?
4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol is sourced from PubChem (CID 110931949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).