5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol

C14H30N2O — CID 110923815

IUPAC5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
SMILESCC(C)CCN1CCN(CCCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-14(2)6-8-16-11-9-15(10-12-16)7-4-3-5-13-17/h14,17H,3-13H2,1-2H3
InChIKeyJZBASIJUNAVPQT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds8

About 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol

5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol (PubChem CID 110923815) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
PubChem CID110923815
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
SMILESCC(C)CCN1CCN(CCCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-14(2)6-8-16-11-9-15(10-12-16)7-4-3-5-13-17/h14,17H,3-13H2,1-2H3
InChIKeyJZBASIJUNAVPQT-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
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

4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729440
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
ethane;4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729439
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol (CID 110923815) is 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol is CC(C)CCN1CCN(CCCCCO)CC1.
What is the InChIKey of 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is JZBASIJUNAVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2)6-8-16-11-9-15(10-12-16)7-4-3-5-13-17/h14,17H,3-13H2,1-2H3.
What are the key properties of 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol?
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 110923815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).