2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone

C17H33N3O2 — CID 70772887

IUPAC2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
SMILESCCCC1(CO)CCCN(C(=O)CN2CCN(CC)CC2)C1
InChIInChI=1S/C17H33N3O2/c1-3-6-17(15-21)7-5-8-20(14-17)16(22)13-19-11-9-18(4-2)10-12-19/h21H,3-15H2,1-2H3
InChIKeyHYUHATMBVUBWTO-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.03
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone

2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone (PubChem CID 70772887) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
PubChem CID70772887
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
SMILESCCCC1(CO)CCCN(C(=O)CN2CCN(CC)CC2)C1
InChIInChI=1S/C17H33N3O2/c1-3-6-17(15-21)7-5-8-20(14-17)16(22)13-19-11-9-18(4-2)10-12-19/h21H,3-15H2,1-2H3
InChIKeyHYUHATMBVUBWTO-UHFFFAOYSA-N
XLogP1.03
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 70786651
N-(1,1-dimethylpropyl)-2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]acetamide
CID 70714271
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 97113223
2-[3-(Hydroxymethyl)-3-methylpiperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 112416350
1-(4-Acetylpiperazin-1-yl)-2-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 137842444
(1'-Acetyl-3-isobutyl-1,4'-bipiperidin-3-yl)methanol
CID 50961244
1-[4-(Dihydroxymethyl)piperidin-1-yl]-2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 134605159
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 60645001
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-(piperidin-1-yl)ethan-1-one
CID 60645002
2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 60645093
N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 60669804
N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60670027

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone (CID 70772887) is 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone is CCCC1(CO)CCCN(C(=O)CN2CCN(CC)CC2)C1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone?
The InChIKey is HYUHATMBVUBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-6-17(15-21)7-5-8-20(14-17)16(22)13-19-11-9-18(4-2)10-12-19/h21H,3-15H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone?
2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone has a molecular weight of 311.47 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone is sourced from PubChem (CID 70772887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).