2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol

C16H26N2O2 — CID 171296646

IUPAC2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
SMILESCCC[C@H](c1cccc(OCC)c1O)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-3-6-14(18-11-9-17-10-12-18)13-7-5-8-15(16(13)19)20-4-2/h5,7-8,14,17,19H,3-4,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyDJLFHWLRRIFUQQ-CQSZACIVSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds6

About 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol

2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol (PubChem CID 171296646) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
PubChem CID171296646
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
SMILESCCC[C@H](c1cccc(OCC)c1O)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-3-6-14(18-11-9-17-10-12-18)13-7-5-8-15(16(13)19)20-4-2/h5,7-8,14,17,19H,3-4,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyDJLFHWLRRIFUQQ-CQSZACIVSA-N
XLogP2.54
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-piperazin-1-ylbutyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171301823
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171287329
2-ethoxy-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171284010
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330
2-ethoxy-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171296631
2-ethoxy-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171284011
2-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-6-ethoxyphenol
CID 171296627
2-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171294452
2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol (CID 171296646) is 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol is CCC[C@H](c1cccc(OCC)c1O)N1CCNCC1.
What is the InChIKey of 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol?
The InChIKey is DJLFHWLRRIFUQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-6-14(18-11-9-17-10-12-18)13-7-5-8-15(16(13)19)20-4-2/h5,7-8,14,17,19H,3-4,6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol?
2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171296646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).