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

C63H135N11O2 — CID 159235042

IUPAC2-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
SMILESCC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1
InChIInChI=1S/2C9H19N.C8H16N2O.C8H18N2.C8H17NO.C7H16N2.2C7H15N/c2*1-8(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)9-5-3-8-4-6-9;2*1-6(2)7-4-8(3)5-7/h2*8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,4-5H2,1-3H3
InChIKeyKTJBPKITTMSLBM-UHFFFAOYSA-N
MW1078.85 g/mol
LogP8.56
Rot. Bonds9

About 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

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 (PubChem CID 159235042) has the molecular formula C63H135N11O2 and a molecular weight of 1078.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159235042
Molecular FormulaC63H135N11O2
Molecular Weight1078.85 g/mol
Exact Mass1078.08
IUPAC Name2-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
SMILESCC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1
InChIInChI=1S/2C9H19N.C8H16N2O.C8H18N2.C8H17NO.C7H16N2.2C7H15N/c2*1-8(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)9-5-3-8-4-6-9;2*1-6(2)7-4-8(3)5-7/h2*8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,4-5H2,1-3H3
InChIKeyKTJBPKITTMSLBM-UHFFFAOYSA-N
XLogP8.56
TPSA88.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.85
LogP ≤ 58.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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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;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
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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1.
What is the InChIKey of 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?
The InChIKey is KTJBPKITTMSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C8H16N2O.C8H18N2.C8H17NO.C7H16N2.2C7H15N/c2*1-8(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)9-5-3-8-4-6-9;2*1-6(2)7-4-8(3)5-7/h2*8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1078.85 g/mol, XLogP of 8.56, 9 rotatable bonds, 3 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;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 is sourced from PubChem (CID 159235042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).