(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone

C10H18N2O3 — CID 170181625

IUPAC(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(O)CCOC2)CC1
InChIInChI=1S/C10H18N2O3/c1-11-3-5-12(6-4-11)9(13)10(14)2-7-15-8-10/h14H,2-8H2,1H3
InChIKeyIMNFWKJJBBMVTI-UHFFFAOYSA-N
MW214.26 g/mol
LogP-1.09
Rot. Bonds1

About (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone

(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 170181625) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID170181625
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(O)CCOC2)CC1
InChIInChI=1S/C10H18N2O3/c1-11-3-5-12(6-4-11)9(13)10(14)2-7-15-8-10/h14H,2-8H2,1H3
InChIKeyIMNFWKJJBBMVTI-UHFFFAOYSA-N
XLogP-1.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181641
(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 130161826
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097632
4,7,7-trimethyl-1-(4-methylpiperazine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2974481
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone
CID 128738839
1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 5150607
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 170181625) is (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(O)CCOC2)CC1.
What is the InChIKey of (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IMNFWKJJBBMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-3-5-12(6-4-11)9(13)10(14)2-7-15-8-10/h14H,2-8H2,1H3.
What are the key properties of (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 170181625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).