4-[(1-butylpyrrolidin-2-yl)methyl]morpholine

C13H26N2O — CID 54021094

IUPAC4-[(1-butylpyrrolidin-2-yl)methyl]morpholine
SMILESCCCCN1CCCC1CN1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-3-6-15-7-4-5-13(15)12-14-8-10-16-11-9-14/h13H,2-12H2,1H3
InChIKeyKYYVGFRAGFGMHX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.58
Rot. Bonds5

About 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine

4-[(1-butylpyrrolidin-2-yl)methyl]morpholine (PubChem CID 54021094) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-butylpyrrolidin-2-yl)methyl]morpholine
PubChem CID54021094
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(1-butylpyrrolidin-2-yl)methyl]morpholine
SMILESCCCCN1CCCC1CN1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-3-6-15-7-4-5-13(15)12-14-8-10-16-11-9-14/h13H,2-12H2,1H3
InChIKeyKYYVGFRAGFGMHX-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
Piperidine, 1-methyl-2-((2-(1-pyrrolidinyl)ethoxy)methyl)-
CID 3063349
rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
(S)-4-(pyrrolidin-2-ylmethyl)morpholine
CID 7141612
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
1-(Oxolan-3-yl)piperidine
CID 14978005
4-(1-Fluoropyrrolidin-3-yl)morpholine
CID 135162501
4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine
CID 153298400
4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine
CID 153298483
4-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine
CID 153298961
(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile
CID 11564638

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine (CID 54021094) is 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine is CCCCN1CCCC1CN1CCOCC1.
What is the InChIKey of 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine?
The InChIKey is KYYVGFRAGFGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-6-15-7-4-5-13(15)12-14-8-10-16-11-9-14/h13H,2-12H2,1H3.
What are the key properties of 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine?
4-[(1-butylpyrrolidin-2-yl)methyl]morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylpyrrolidin-2-yl)methyl]morpholine is sourced from PubChem (CID 54021094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).