[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride

C12H25Cl2N3O2 — CID 119838561

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-17-10-9-14-5-7-15(8-6-14)12(16)11-3-2-4-13-11;;/h11,13H,2-10H2,1H3;2*1H
InChIKeyTZVSBRJIZJFVCO-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.37
Rot. Bonds4

About [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride

[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (PubChem CID 119838561) has the molecular formula C12H25Cl2N3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
PubChem CID119838561
Molecular FormulaC12H25Cl2N3O2
Molecular Weight314.26 g/mol
Exact Mass313.13
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-17-10-9-14-5-7-15(8-6-14)12(16)11-3-2-4-13-11;;/h11,13H,2-10H2,1H3;2*1H
InChIKeyTZVSBRJIZJFVCO-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiomorpholin-3-ylmethanone
CID 82909244
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54874273

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (CID 119838561) is [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride is COCCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The InChIKey is TZVSBRJIZJFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.2ClH/c1-17-10-9-14-5-7-15(8-6-14)12(16)11-3-2-4-13-11;;/h11,13H,2-10H2,1H3;2*1H.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119838561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).