5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one

C14H27N3O2 — CID 115102735

IUPAC5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
SMILESCC(C)N1CCCCC1CN1C(=O)COCC1CN
InChIInChI=1S/C14H27N3O2/c1-11(2)16-6-4-3-5-12(16)8-17-13(7-15)9-19-10-14(17)18/h11-13H,3-10,15H2,1-2H3
InChIKeyLEPRMJZBLDAFQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one

5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one (PubChem CID 115102735) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
PubChem CID115102735
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
SMILESCC(C)N1CCCCC1CN1C(=O)COCC1CN
InChIInChI=1S/C14H27N3O2/c1-11(2)16-6-4-3-5-12(16)8-17-13(7-15)9-19-10-14(17)18/h11-13H,3-10,15H2,1-2H3
InChIKeyLEPRMJZBLDAFQL-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102740
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
CID 115102469
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one (CID 115102735) is 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one is CC(C)N1CCCCC1CN1C(=O)COCC1CN.
What is the InChIKey of 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one?
The InChIKey is LEPRMJZBLDAFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)16-6-4-3-5-12(16)8-17-13(7-15)9-19-10-14(17)18/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one?
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one is sourced from PubChem (CID 115102735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).