(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C11H21ClN2O2 — CID 119580771

IUPAC(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCOC1CC1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-3-15-10-6-9(10)11(14)13-5-4-12-8(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyBFHYVNLFCNUKHP-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.65
Rot. Bonds3

About (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119580771) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119580771
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCOC1CC1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-3-15-10-6-9(10)11(14)13-5-4-12-8(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyBFHYVNLFCNUKHP-UHFFFAOYSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 129414775
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119580771) is (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is CCOC1CC1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is BFHYVNLFCNUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-3-15-10-6-9(10)11(14)13-5-4-12-8(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H.
What are the key properties of (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119580771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).