1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine

C47H112N18 — CID 159939568

IUPAC1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
SMILESCC(N)CN1CCN(CC(C)N)CC1.CC(N)CN1CCNCC1.CCC(N)CN1CCN(CC(N)CC)CC1.CCC(N)CN1CCN(CCN)CC1.CCC(N)CN1CCNCC1
InChIInChI=1S/C12H28N4.2C10H24N4.C8H19N3.C7H17N3/c1-3-11(13)9-15-5-7-16(8-6-15)10-12(14)4-2;1-9(11)7-13-3-5-14(6-4-13)8-10(2)12;1-2-10(12)9-14-7-5-13(4-3-11)6-8-14;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h11-12H,3-10,13-14H2,1-2H3;9-10H,3-8,11-12H2,1-2H3;10H,2-9,11-12H2,1H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3
InChIKeyOARVKVKIYBIBBV-UHFFFAOYSA-N
MW929.54 g/mol
LogP-2.46
Rot. Bonds20

About 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine

1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine (PubChem CID 159939568) has the molecular formula C47H112N18 and a molecular weight of 929.54 g/mol. Its IUPAC name is 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
PubChem CID159939568
Molecular FormulaC47H112N18
Molecular Weight929.54 g/mol
Exact Mass928.93
IUPAC Name1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
SMILESCC(N)CN1CCN(CC(C)N)CC1.CC(N)CN1CCNCC1.CCC(N)CN1CCN(CC(N)CC)CC1.CCC(N)CN1CCN(CCN)CC1.CCC(N)CN1CCNCC1
InChIInChI=1S/C12H28N4.2C10H24N4.C8H19N3.C7H17N3/c1-3-11(13)9-15-5-7-16(8-6-15)10-12(14)4-2;1-9(11)7-13-3-5-14(6-4-13)8-10(2)12;1-2-10(12)9-14-7-5-13(4-3-11)6-8-14;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h11-12H,3-10,13-14H2,1-2H3;9-10H,3-8,11-12H2,1-2H3;10H,2-9,11-12H2,1H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3
InChIKeyOARVKVKIYBIBBV-UHFFFAOYSA-N
XLogP-2.46
TPSA258.14 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.54
LogP ≤ 5-2.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-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

2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
methane;2-piperazin-1-ylethanamine
CID 160655027
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
1-(3-methylpentyl)piperazine
CID 45099566
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine
CID 158134153
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine
CID 159573067
1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
CID 173029681
N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 157484859
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
2-methyl-1-piperazin-1-ylhexan-3-amine
CID 116946597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The IUPAC name of 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine (CID 159939568) is 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-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-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The canonical SMILES for 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine is CC(N)CN1CCN(CC(C)N)CC1.CC(N)CN1CCNCC1.CCC(N)CN1CCN(CC(N)CC)CC1.CCC(N)CN1CCN(CCN)CC1.CCC(N)CN1CCNCC1.
What is the InChIKey of 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
The InChIKey is OARVKVKIYBIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.2C10H24N4.C8H19N3.C7H17N3/c1-3-11(13)9-15-5-7-16(8-6-15)10-12(14)4-2;1-9(11)7-13-3-5-14(6-4-13)8-10(2)12;1-2-10(12)9-14-7-5-13(4-3-11)6-8-14;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h11-12H,3-10,13-14H2,1-2H3;9-10H,3-8,11-12H2,1-2H3;10H,2-9,11-12H2,1H3;8,10H,2-7,9H2,1H3;7,9H,2-6,8H2,1H3.
What are the key properties of 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine?
1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine has a molecular weight of 929.54 g/mol, XLogP of -2.46, 20 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine is sourced from PubChem (CID 159939568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).