2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol

C16H26N2O2 — CID 60669962

IUPAC2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
SMILESCc1cccc(OCCCN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-15-4-2-5-16(14-15)20-13-3-6-17-7-9-18(10-8-17)11-12-19/h2,4-5,14,19H,3,6-13H2,1H3
InChIKeyRQHDPDMIMODCKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.37
Rot. Bonds7

About 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol

2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol (PubChem CID 60669962) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
PubChem CID60669962
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
SMILESCc1cccc(OCCCN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-15-4-2-5-16(14-15)20-13-3-6-17-7-9-18(10-8-17)11-12-19/h2,4-5,14,19H,3,6-13H2,1H3
InChIKeyRQHDPDMIMODCKN-UHFFFAOYSA-N
XLogP1.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 43592083
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol (CID 60669962) is 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol is Cc1cccc(OCCCN2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol?
The InChIKey is RQHDPDMIMODCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15-4-2-5-16(14-15)20-13-3-6-17-7-9-18(10-8-17)11-12-19/h2,4-5,14,19H,3,6-13H2,1H3.
What are the key properties of 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol?
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60669962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).