2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

C61H131N11O2 — CID 159615931

IUPAC2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1
InChIInChI=1S/C9H19N.C8H16N2O.C8H18N2.C8H17NO.C8H17N.C7H16N2.C7H15N.C6H13N/c1-8(2)9-4-6-10(3)7-5-9;1-7(2)8(11)10-5-3-9-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-8-3-5-9-6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyMNHAZCAPQNBCFB-UHFFFAOYSA-N
MW1050.79 g/mol
LogP7.87
Rot. Bonds9

About 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (PubChem CID 159615931) has the molecular formula C61H131N11O2 and a molecular weight of 1050.79 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
PubChem CID159615931
Molecular FormulaC61H131N11O2
Molecular Weight1050.79 g/mol
Exact Mass1050.05
IUPAC Name2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1
InChIInChI=1S/C9H19N.C8H16N2O.C8H18N2.C8H17NO.C8H17N.C7H16N2.C7H15N.C6H13N/c1-8(2)9-4-6-10(3)7-5-9;1-7(2)8(11)10-5-3-9-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-8-3-5-9-6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyMNHAZCAPQNBCFB-UHFFFAOYSA-N
XLogP7.87
TPSA105.89 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.79
LogP ≤ 57.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 158121207
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 158245312
N,N-diethyl-3-methylbutan-1-amine;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;N,N,2-trimethylpropan-1-amine
CID 158817879
2-Methyl-1-piperazin-1-ylpropan-1-one;bis(1-methyl-3-propan-2-ylazetidine);1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine
CID 159235042
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 159993938
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 161402239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The IUPAC name of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (CID 159615931) is 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The canonical SMILES for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is CC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The InChIKey is MNHAZCAPQNBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16N2O.C8H18N2.C8H17NO.C8H17N.C7H16N2.C7H15N.C6H13N/c1-8(2)9-4-6-10(3)7-5-9;1-7(2)8(11)10-5-3-9-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-8-3-5-9-6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine has a molecular weight of 1050.79 g/mol, XLogP of 7.87, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is sourced from PubChem (CID 159615931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).