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

C12H26N2O — CID 62777800

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
SMILESCC(C)CN1CCN(CCCCO)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h12,15H,3-11H2,1-2H3
InChIKeyIJPISWKKEVYSKP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds6

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

4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol (PubChem CID 62777800) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
PubChem CID62777800
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
SMILESCC(C)CN1CCN(CCCCO)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h12,15H,3-11H2,1-2H3
InChIKeyIJPISWKKEVYSKP-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
(2R)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 97311891
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729440
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol (CID 62777800) is 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol is CC(C)CN1CCN(CCCCO)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol?
The InChIKey is IJPISWKKEVYSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol?
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 62777800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).