(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone

C16H24N2O2 — CID 110486128

IUPAC(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2cccc(C(C)(C)O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-8-10-18(11-9-17)15(19)13-6-5-7-14(12-13)16(2,3)20/h5-7,12,20H,4,8-11H2,1-3H3
InChIKeyCBAZMIZZTJCQAW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone

(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone (PubChem CID 110486128) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
PubChem CID110486128
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2cccc(C(C)(C)O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-8-10-18(11-9-17)15(19)13-6-5-7-14(12-13)16(2,3)20/h5-7,12,20H,4,8-11H2,1-3H3
InChIKeyCBAZMIZZTJCQAW-UHFFFAOYSA-N
XLogP1.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
3-[3-(4-ethylpiperazine-1-carbonyl)phenyl]prop-2-enoic acid
CID 76906517
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
4-[3-(4-ethylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109064308
[4-(2,2-dimethylpropyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 110313619
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063964

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone (CID 110486128) is (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone is CCN1CCN(C(=O)c2cccc(C(C)(C)O)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone?
The InChIKey is CBAZMIZZTJCQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-8-10-18(11-9-17)15(19)13-6-5-7-14(12-13)16(2,3)20/h5-7,12,20H,4,8-11H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 110486128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).