4-[4-(6-phenylhexyl)piperazin-1-yl]phenol

C22H30N2O — CID 69479444

IUPAC4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCCCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O/c25-22-13-11-21(12-14-22)24-18-16-23(17-19-24)15-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-14,25H,1-2,4,7-8,15-19H2
InChIKeyZZLWDXJKPLRSMV-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.32
Rot. Bonds8

About 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol

4-[4-(6-phenylhexyl)piperazin-1-yl]phenol (PubChem CID 69479444) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
PubChem CID69479444
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCCCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O/c25-22-13-11-21(12-14-22)24-18-16-23(17-19-24)15-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-14,25H,1-2,4,7-8,15-19H2
InChIKeyZZLWDXJKPLRSMV-UHFFFAOYSA-N
XLogP4.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.32
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-morpholin-4-ylbutyl)phenol
CID 82188001
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
1-butyl-3-[5-[4-(4-hydroxyphenyl)piperazin-1-yl]pentyl]benzimidazol-2-one
CID 122367612
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
CID 22137393
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
N-[3-[5-(4-phenylpiperazin-1-yl)pentyl]phenyl]propanethioamide
CID 88680326
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
1-(4-phenylbutyl)azetidin-3-ol
CID 114334514

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol (CID 69479444) is 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(CCCCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol?
The InChIKey is ZZLWDXJKPLRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22-13-11-21(12-14-22)24-18-16-23(17-19-24)15-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-14,25H,1-2,4,7-8,15-19H2.
What are the key properties of 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol?
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol has a molecular weight of 338.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-phenylhexyl)piperazin-1-yl]phenol is sourced from PubChem (CID 69479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).