4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol

C16H34N2O — CID 156729440

IUPAC4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
SMILESCCC(C)CCCCN1CCN(CCCCO)CC1
InChIInChI=1S/C16H34N2O/c1-3-16(2)8-4-5-9-17-11-13-18(14-12-17)10-6-7-15-19/h16,19H,3-15H2,1-2H3
InChIKeyGJDSBCUKEGOICK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.59
Rot. Bonds10

About 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol

4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol (PubChem CID 156729440) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
PubChem CID156729440
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
SMILESCCC(C)CCCCN1CCN(CCCCO)CC1
InChIInChI=1S/C16H34N2O/c1-3-16(2)8-4-5-9-17-11-13-18(14-12-17)10-6-7-15-19/h16,19H,3-15H2,1-2H3
InChIKeyGJDSBCUKEGOICK-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol (CID 156729440) is 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol is CCC(C)CCCCN1CCN(CCCCO)CC1.
What is the InChIKey of 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol?
The InChIKey is GJDSBCUKEGOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-16(2)8-4-5-9-17-11-13-18(14-12-17)10-6-7-15-19/h16,19H,3-15H2,1-2H3.
What are the key properties of 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol?
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 156729440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).