2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C14H27N3O2 — CID 55064854

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCCC(CCO)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-15-6-8-17(9-7-15)14(19)12-16-5-2-3-13(11-16)4-10-18/h13,18H,2-12H2,1H3
InChIKeyXRNANUGQTNHLFQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.15
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 55064854) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID55064854
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCCC(CCO)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-15-6-8-17(9-7-15)14(19)12-16-5-2-3-13(11-16)4-10-18/h13,18H,2-12H2,1H3
InChIKeyXRNANUGQTNHLFQ-UHFFFAOYSA-N
XLogP-0.15
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
CID 107227868
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
CID 82892323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 55064854) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCCC(CCO)C2)CC1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XRNANUGQTNHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-6-8-17(9-7-15)14(19)12-16-5-2-3-13(11-16)4-10-18/h13,18H,2-12H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55064854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).