1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine

C54H113N9O2 — CID 158893731

IUPAC1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
SMILESCC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H19NO.C10H21N.C9H20N2.C8H18N2.C7H15N/c1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)11-6-4-10(5-7-11)9(3)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyJEOKDXAPDBUEAW-UHFFFAOYSA-N
MW920.56 g/mol
LogP8.33
Rot. Bonds10

About 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine

1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine (PubChem CID 158893731) has the molecular formula C54H113N9O2 and a molecular weight of 920.56 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
PubChem CID158893731
Molecular FormulaC54H113N9O2
Molecular Weight920.56 g/mol
Exact Mass919.90
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
SMILESCC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H19NO.C10H21N.C9H20N2.C8H18N2.C7H15N/c1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)11-6-4-10(5-7-11)9(3)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyJEOKDXAPDBUEAW-UHFFFAOYSA-N
XLogP8.33
TPSA63.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.56
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
CID 158091794
1-Methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
CID 158191861
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158534491
1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
CID 159410648
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 159462569
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 160066406
1-[4-(Dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;methane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 160472168
1-(4-Butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 161007172
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 161253685
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 161474083
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1-(4-methylpiperazin-1-yl)ethanone;1-(1-methylpiperidin-4-yl)ethanone
CID 161661931
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 161772325

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine (CID 158893731) is 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine is CC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine?
The InChIKey is JEOKDXAPDBUEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H19NO.C10H21N.C9H20N2.C8H18N2.C7H15N/c1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)11-6-4-10(5-7-11)9(3)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine?
1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine has a molecular weight of 920.56 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158893731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).