1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone

C14H27N3O2 — CID 107147574

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone
SMILESCC1CCCNC1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-12-3-2-4-15-13(12)11-14(19)17-7-5-16(6-8-17)9-10-18/h12-13,15,18H,2-11H2,1H3
InChIKeyAZLWEJKCDVRHPW-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone (PubChem CID 107147574) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone
PubChem CID107147574
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone
SMILESCC1CCCNC1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-12-3-2-4-15-13(12)11-14(19)17-7-5-16(6-8-17)9-10-18/h12-13,15,18H,2-11H2,1H3
InChIKeyAZLWEJKCDVRHPW-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 107147920
N-[1-[2-(3-methylpiperidin-2-yl)acetyl]piperidin-4-yl]acetamide
CID 107148029
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
CID 107148097
2-[2-(3-methylpiperidin-2-yl)acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107147999
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-2-yl)ethanone
CID 107147481
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
CID 107218340
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
3-(3-methylpiperidin-2-yl)propan-1-ol
CID 78065811
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
(3-methylpiperidin-2-yl)methanol
CID 19898861

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone (CID 107147574) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone is CC1CCCNC1CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The InChIKey is AZLWEJKCDVRHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12-3-2-4-15-13(12)11-14(19)17-7-5-16(6-8-17)9-10-18/h12-13,15,18H,2-11H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 107147574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).