1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride

C21H37ClN2O — CID 54605432

IUPAC1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
SMILESCCCC(C)c1ccc(OCCCCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C21H36N2O.ClH/c1-3-8-19(2)20-9-11-21(12-10-20)24-18-7-5-4-6-15-23-16-13-22-14-17-23;/h9-12,19,22H,3-8,13-18H2,1-2H3;1H
InChIKeyZPXSLBWMTDVTJB-UHFFFAOYSA-N
MW368.99 g/mol
LogP4.86
Rot. Bonds11

About 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride

1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride (PubChem CID 54605432) has the molecular formula C21H37ClN2O and a molecular weight of 368.99 g/mol. Its IUPAC name is 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
PubChem CID54605432
Molecular FormulaC21H37ClN2O
Molecular Weight368.99 g/mol
Exact Mass368.26
IUPAC Name1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
SMILESCCCC(C)c1ccc(OCCCCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C21H36N2O.ClH/c1-3-8-19(2)20-9-11-21(12-10-20)24-18-7-5-4-6-15-23-16-13-22-14-17-23;/h9-12,19,22H,3-8,13-18H2,1-2H3;1H
InChIKeyZPXSLBWMTDVTJB-UHFFFAOYSA-N
XLogP4.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.99
LogP ≤ 54.86
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

ethyl 4-[5-(4-pentan-2-ylphenoxy)pentyl]piperazine-1-carboxylate;hydrochloride
CID 54611705
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine
CID 91350575
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
1-(3-phenoxypropyl)piperazine
CID 2760351
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride?
The IUPAC name of 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride (CID 54605432) is 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride?
The canonical SMILES for 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride is CCCC(C)c1ccc(OCCCCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride?
The InChIKey is ZPXSLBWMTDVTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O.ClH/c1-3-8-19(2)20-9-11-21(12-10-20)24-18-7-5-4-6-15-23-16-13-22-14-17-23;/h9-12,19,22H,3-8,13-18H2,1-2H3;1H.
What are the key properties of 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride?
1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride has a molecular weight of 368.99 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride is sourced from PubChem (CID 54605432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).