(4-nonylpiperazin-1-yl)methanol

C14H30N2O — CID 574800

IUPAC(4-nonylpiperazin-1-yl)methanol
SMILESCCCCCCCCCN1CCN(CO)CC1
InChIInChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-15-10-12-16(14-17)13-11-15/h17H,2-14H2,1H3
InChIKeyDTFPIWBXYZSASC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.30
Rot. Bonds9

About (4-nonylpiperazin-1-yl)methanol

(4-nonylpiperazin-1-yl)methanol (PubChem CID 574800) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (4-nonylpiperazin-1-yl)methanol.

Molecular Properties

Compound Name(4-nonylpiperazin-1-yl)methanol
PubChem CID574800
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(4-nonylpiperazin-1-yl)methanol
SMILESCCCCCCCCCN1CCN(CO)CC1
InChIInChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-15-10-12-16(14-17)13-11-15/h17H,2-14H2,1H3
InChIKeyDTFPIWBXYZSASC-UHFFFAOYSA-N
XLogP2.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.30
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

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1-hexyl-4-iodopiperazine
CID 167297549
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CID 80675071
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CID 144712197

Frequently Asked Questions

What is the IUPAC name of (4-nonylpiperazin-1-yl)methanol?
The IUPAC name of (4-nonylpiperazin-1-yl)methanol (CID 574800) is (4-nonylpiperazin-1-yl)methanol.
What is the SMILES notation for (4-nonylpiperazin-1-yl)methanol?
The canonical SMILES for (4-nonylpiperazin-1-yl)methanol is CCCCCCCCCN1CCN(CO)CC1.
What is the InChIKey of (4-nonylpiperazin-1-yl)methanol?
The InChIKey is DTFPIWBXYZSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-15-10-12-16(14-17)13-11-15/h17H,2-14H2,1H3.
What are the key properties of (4-nonylpiperazin-1-yl)methanol?
(4-nonylpiperazin-1-yl)methanol has a molecular weight of 242.41 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonylpiperazin-1-yl)methanol is sourced from PubChem (CID 574800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).