2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C14H28N4O2 — CID 106618351

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCO)CC2CCCN2)CC1
InChIInChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)14(20)12-17(9-10-19)11-13-3-2-4-15-13/h13,15,19H,2-12H2,1H3
InChIKeyNXMKDZCRRWLVOR-UHFFFAOYSA-N
MW284.40 g/mol
LogP-1.19
Rot. Bonds6

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 106618351) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID106618351
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCO)CC2CCCN2)CC1
InChIInChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)14(20)12-17(9-10-19)11-13-3-2-4-15-13/h13,15,19H,2-12H2,1H3
InChIKeyNXMKDZCRRWLVOR-UHFFFAOYSA-N
XLogP-1.19
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
CID 106636149
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106615332
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
CID 106615823
2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606838
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106618118

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 106618351) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN(CCO)CC2CCCN2)CC1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NXMKDZCRRWLVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)14(20)12-17(9-10-19)11-13-3-2-4-15-13/h13,15,19H,2-12H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 106618351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).