1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine

C53H126N20 — CID 157194393

IUPAC1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
SMILESCC(N)CN1CCN(C)C(C)C1.CC(N)CN1CCN(C)CC1C.CC(N)CN1CCN(CCN)C(C)C1.CC(N)CN1CCN(CCN)CC1C.CC(N)CN1CCNCC1.CCC(N)CN1CCNCC1
InChIInChI=1S/2C10H24N4.2C9H21N3.C8H19N3.C7H17N3/c1-9(12)7-13-5-6-14(4-3-11)10(2)8-13;1-9(12)7-14-6-5-13(4-3-11)8-10(14)2;1-8(10)6-12-5-4-11(3)9(2)7-12;1-8(10)6-12-5-4-11(3)7-9(12)2;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h2*9-10H,3-8,11-12H2,1-2H3;2*8-9H,4-7,10H2,1-3H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3
InChIKeyAQBOWFFNYQRLIF-UHFFFAOYSA-N
MW1043.73 g/mol
LogP-2.60
Rot. Bonds17

About 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine

1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine (PubChem CID 157194393) has the molecular formula C53H126N20 and a molecular weight of 1043.73 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
PubChem CID157194393
Molecular FormulaC53H126N20
Molecular Weight1043.73 g/mol
Exact Mass1043.05
IUPAC Name1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
SMILESCC(N)CN1CCN(C)C(C)C1.CC(N)CN1CCN(C)CC1C.CC(N)CN1CCN(CCN)C(C)C1.CC(N)CN1CCN(CCN)CC1C.CC(N)CN1CCNCC1.CCC(N)CN1CCNCC1
InChIInChI=1S/2C10H24N4.2C9H21N3.C8H19N3.C7H17N3/c1-9(12)7-13-5-6-14(4-3-11)10(2)8-13;1-9(12)7-14-6-5-13(4-3-11)8-10(14)2;1-8(10)6-12-5-4-11(3)9(2)7-12;1-8(10)6-12-5-4-11(3)7-9(12)2;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h2*9-10H,3-8,11-12H2,1-2H3;2*8-9H,4-7,10H2,1-3H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3
InChIKeyAQBOWFFNYQRLIF-UHFFFAOYSA-N
XLogP-2.60
TPSA264.62 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.73
LogP ≤ 5-2.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(2,2-Difluorobutyl)-4-methanidylpiperazin-4-ium;1-(2,2-difluoroethyl)-4-methanidylpiperazin-4-ium;1-(2,2-difluoropropyl)-4-methanidylpiperazin-4-ium;1-(2-fluoroethyl)-4-methanidylpiperazin-4-ium;1-(1-fluoro-2-methylpropan-2-yl)-4-methanidylpiperazin-4-ium;1-methanidyl-4-(2,2,2-trifluoroethyl)piperazin-1-ium
CID 157944169
1-(2,2-difluorobutyl)-4-methanidylpiperazin-4-ium;1-(2,2-difluoroethyl)-4-methanidylpiperazin-4-ium;1-(2,2-difluoropropyl)-4-methanidylpiperazin-4-ium;1-(2-fluoroethyl)-4-methanidylpiperazin-4-ium;1-(1-fluoro-2-methylpropan-2-yl)-4-methanidylpiperazin-4-ium;(2R,6S)-4-methanidyl-1,2,6-trimethylpiperazin-4-ium
CID 160162269
(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 162084987
2-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-N-[2-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl]ethanamine
CID 162669953
1-Methyl-4-[4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364637
1,4-Diazabicyclo[2.2.2]octane;piperazine;piperidine
CID 67742529
1-(2-Piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
CID 67764532
Tetrakis(2-methylpiperazin-1-yl)silane
CID 69479374
1-[4-(2,5-Dimethyl-4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-2,5-dimethyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 70258816
N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine
CID 90722711
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine
CID 90988077
1,4,7,10-Tetrakis(piperidin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 118551575

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The IUPAC name of 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine (CID 157194393) is 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The canonical SMILES for 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine is CC(N)CN1CCN(C)C(C)C1.CC(N)CN1CCN(C)CC1C.CC(N)CN1CCN(CCN)C(C)C1.CC(N)CN1CCN(CCN)CC1C.CC(N)CN1CCNCC1.CCC(N)CN1CCNCC1.
What is the InChIKey of 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The InChIKey is AQBOWFFNYQRLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H24N4.2C9H21N3.C8H19N3.C7H17N3/c1-9(12)7-13-5-6-14(4-3-11)10(2)8-13;1-9(12)7-14-6-5-13(4-3-11)8-10(14)2;1-8(10)6-12-5-4-11(3)9(2)7-12;1-8(10)6-12-5-4-11(3)7-9(12)2;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h2*9-10H,3-8,11-12H2,1-2H3;2*8-9H,4-7,10H2,1-3H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine has a molecular weight of 1043.73 g/mol, XLogP of -2.60, 17 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-2-methylpiperazin-1-yl]propan-2-amine;1-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-2-amine;1-(2,4-dimethylpiperazin-1-yl)propan-2-amine;1-(3,4-dimethylpiperazin-1-yl)propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine is sourced from PubChem (CID 157194393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).