4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol

C13H29N3O — CID 55202942

IUPAC4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
SMILESCCCC(CN)N1CCN(CCCCO)CC1
InChIInChI=1S/C13H29N3O/c1-2-5-13(12-14)16-9-7-15(8-10-16)6-3-4-11-17/h13,17H,2-12,14H2,1H3
InChIKeyNNDMGLKRUQGOPF-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds8

About 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol

4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol (PubChem CID 55202942) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
PubChem CID55202942
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
SMILESCCCC(CN)N1CCN(CCCCO)CC1
InChIInChI=1S/C13H29N3O/c1-2-5-13(12-14)16-9-7-15(8-10-16)6-3-4-11-17/h13,17H,2-12,14H2,1H3
InChIKeyNNDMGLKRUQGOPF-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
2-[4-(5-hydroxypentyl)piperazin-1-yl]pentanethioamide
CID 63341676
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321
2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine
CID 63343574
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63343968
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729440
2-[4-(3-hydroxypropyl)piperazin-1-yl]pentanethioamide
CID 63341499
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
ethane;4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729439
2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43209332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol (CID 55202942) is 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol is CCCC(CN)N1CCN(CCCCO)CC1.
What is the InChIKey of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is NNDMGLKRUQGOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-2-5-13(12-14)16-9-7-15(8-10-16)6-3-4-11-17/h13,17H,2-12,14H2,1H3.
What are the key properties of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol?
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 55202942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).