1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone

C15H28N2O2 — CID 64532918

IUPAC1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2CN(C(C)C)CCO2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-7-8-19-15(11-17)10-16-6-4-5-14(9-16)13(3)18/h12,14-15H,4-11H2,1-3H3
InChIKeyLJEAGAGFNPSJFJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds4

About 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone

1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone (PubChem CID 64532918) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
PubChem CID64532918
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2CN(C(C)C)CCO2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-7-8-19-15(11-17)10-16-6-4-5-14(9-16)13(3)18/h12,14-15H,4-11H2,1-3H3
InChIKeyLJEAGAGFNPSJFJ-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64533682
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone (CID 64532918) is 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC2CN(C(C)C)CCO2)C1.
What is the InChIKey of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone?
The InChIKey is LJEAGAGFNPSJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17-7-8-19-15(11-17)10-16-6-4-5-14(9-16)13(3)18/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone?
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 64532918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).