(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone

C16H24N2O2 — CID 82267421

IUPAC(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
SMILESCCc1cc(OC(C)C)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-4-13-11-14(20-12(2)3)5-6-15(13)16(19)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeySELQBTOITGOQJI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds4

About (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone

(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone (PubChem CID 82267421) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
PubChem CID82267421
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
SMILESCCc1cc(OC(C)C)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-4-13-11-14(20-12(2)3)5-6-15(13)16(19)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeySELQBTOITGOQJI-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
2-(piperidine-1-carbonyl)-5-propan-2-yloxybenzamide
CID 68835377
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
CID 89134336
1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 54096458
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone (CID 82267421) is (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone is CCc1cc(OC(C)C)ccc1C(=O)N1CCNCC1.
What is the InChIKey of (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is SELQBTOITGOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-13-11-14(20-12(2)3)5-6-15(13)16(19)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone?
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82267421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).