[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate

C16H24N2O2 — CID 15644102

IUPAC[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate
SMILESCCC(=O)OC1CCN(C)N(CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-16(19)20-15-10-11-17(2)18(13-15)12-9-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKeyHJRNXJVUVRMZGT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds5

About [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate

[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate (PubChem CID 15644102) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate.

Molecular Properties

Compound Name[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate
PubChem CID15644102
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate
SMILESCCC(=O)OC1CCN(C)N(CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-16(19)20-15-10-11-17(2)18(13-15)12-9-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKeyHJRNXJVUVRMZGT-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
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[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
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oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate?
The IUPAC name of [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate (CID 15644102) is [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate.
What is the SMILES notation for [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate?
The canonical SMILES for [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate is CCC(=O)OC1CCN(C)N(CCc2ccccc2)C1.
What is the InChIKey of [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate?
The InChIKey is HJRNXJVUVRMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(19)20-15-10-11-17(2)18(13-15)12-9-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3.
What are the key properties of [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate?
[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate has a molecular weight of 276.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate is sourced from PubChem (CID 15644102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).