1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one

C13H25N3O2 — CID 67055648

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one
SMILESCC(=O)C(C1CCNCC1)N1CCOC(CN)C1
InChIInChI=1S/C13H25N3O2/c1-10(17)13(11-2-4-15-5-3-11)16-6-7-18-12(8-14)9-16/h11-13,15H,2-9,14H2,1H3
InChIKeyVIRLQIGTVCGMHO-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.40
Rot. Bonds4

About 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one

1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one (PubChem CID 67055648) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one
PubChem CID67055648
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one
SMILESCC(=O)C(C1CCNCC1)N1CCOC(CN)C1
InChIInChI=1S/C13H25N3O2/c1-10(17)13(11-2-4-15-5-3-11)16-6-7-18-12(8-14)9-16/h11-13,15H,2-9,14H2,1H3
InChIKeyVIRLQIGTVCGMHO-UHFFFAOYSA-N
XLogP-0.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one (CID 67055648) is 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one is CC(=O)C(C1CCNCC1)N1CCOC(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one?
The InChIKey is VIRLQIGTVCGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(17)13(11-2-4-15-5-3-11)16-6-7-18-12(8-14)9-16/h11-13,15H,2-9,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one?
1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one has a molecular weight of 255.36 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 67055648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).