1-piperazin-1-ylbutane-2,2-diamine

C8H20N4 — CID 57309719

IUPAC1-piperazin-1-ylbutane-2,2-diamine
SMILESCCC(N)(N)CN1CCNCC1
InChIInChI=1S/C8H20N4/c1-2-8(9,10)7-12-5-3-11-4-6-12/h11H,2-7,9-10H2,1H3
InChIKeySCMNSENESYHVDQ-UHFFFAOYSA-N
MW172.28 g/mol
LogP-1.08
Rot. Bonds3

About 1-piperazin-1-ylbutane-2,2-diamine

1-piperazin-1-ylbutane-2,2-diamine (PubChem CID 57309719) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-piperazin-1-ylbutane-2,2-diamine.

Molecular Properties

Compound Name1-piperazin-1-ylbutane-2,2-diamine
PubChem CID57309719
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1-piperazin-1-ylbutane-2,2-diamine
SMILESCCC(N)(N)CN1CCNCC1
InChIInChI=1S/C8H20N4/c1-2-8(9,10)7-12-5-3-11-4-6-12/h11H,2-7,9-10H2,1H3
InChIKeySCMNSENESYHVDQ-UHFFFAOYSA-N
XLogP-1.08
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine
CID 54264618
1-(2,2,4,4-tetramethylhexyl)piperazine
CID 134351462
1-(2,2-dimethylpentyl)piperazine
CID 83530331
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
CID 167431823
1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine
CID 115027592
1-ethylpiperazine;methanethioamide
CID 175299893
2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile
CID 57087393
1-(2-methyl-2-propylsulfonylpropyl)piperazine
CID 117037847
1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine
CID 118569824

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylbutane-2,2-diamine?
The IUPAC name of 1-piperazin-1-ylbutane-2,2-diamine (CID 57309719) is 1-piperazin-1-ylbutane-2,2-diamine.
What is the SMILES notation for 1-piperazin-1-ylbutane-2,2-diamine?
The canonical SMILES for 1-piperazin-1-ylbutane-2,2-diamine is CCC(N)(N)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylbutane-2,2-diamine?
The InChIKey is SCMNSENESYHVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-2-8(9,10)7-12-5-3-11-4-6-12/h11H,2-7,9-10H2,1H3.
What are the key properties of 1-piperazin-1-ylbutane-2,2-diamine?
1-piperazin-1-ylbutane-2,2-diamine has a molecular weight of 172.28 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbutane-2,2-diamine is sourced from PubChem (CID 57309719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).