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

C12H23N3O2 — CID 63298948

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC(O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14-4-6-15(7-5-14)12(17)9-13-8-11(16)10-2-3-10/h10-11,13,16H,2-9H2,1H3
InChIKeyMBMYGGUHOGFGMD-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.88
Rot. Bonds5

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

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 63298948) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID63298948
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC(O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14-4-6-15(7-5-14)12(17)9-13-8-11(16)10-2-3-10/h10-11,13,16H,2-9H2,1H3
InChIKeyMBMYGGUHOGFGMD-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 110605936
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 55013400
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
2-[(1,1-dioxothiolan-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81038478
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 63298948) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNCC(O)C2CC2)CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MBMYGGUHOGFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14-4-6-15(7-5-14)12(17)9-13-8-11(16)10-2-3-10/h10-11,13,16H,2-9H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63298948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).