2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol

C14H28F2N2O3 — CID 142367353

IUPAC2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol
SMILESCOCC(F)(F)COCCCCN1CCN(CCO)CC1
InChIInChI=1S/C14H28F2N2O3/c1-20-12-14(15,16)13-21-11-3-2-4-17-5-7-18(8-6-17)9-10-19/h19H,2-13H2,1H3
InChIKeyOBJZDZWZMQVALO-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.67
Rot. Bonds11

About 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol

2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol (PubChem CID 142367353) has the molecular formula C14H28F2N2O3 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol
PubChem CID142367353
Molecular FormulaC14H28F2N2O3
Molecular Weight310.38 g/mol
Exact Mass310.21
IUPAC Name2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol
SMILESCOCC(F)(F)COCCCCN1CCN(CCO)CC1
InChIInChI=1S/C14H28F2N2O3/c1-20-12-14(15,16)13-21-11-3-2-4-17-5-7-18(8-6-17)9-10-19/h19H,2-13H2,1H3
InChIKeyOBJZDZWZMQVALO-UHFFFAOYSA-N
XLogP0.67
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine;ethane
CID 142364811
2,2-difluoro-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butoxy]propan-1-ol
CID 142385812
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol
CID 142386101
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol;ethane
CID 142386100
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
N-ethyl-2,2-difluoro-3-[4-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butoxy]propan-1-amine
CID 155215147
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol
CID 144641470
2-[4-(5-methoxy-2,2,4,4-tetramethylpentyl)piperazin-1-yl]ethanol
CID 146339568
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol (CID 142367353) is 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol is COCC(F)(F)COCCCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol?
The InChIKey is OBJZDZWZMQVALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O3/c1-20-12-14(15,16)13-21-11-3-2-4-17-5-7-18(8-6-17)9-10-19/h19H,2-13H2,1H3.
What are the key properties of 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol?
2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol has a molecular weight of 310.38 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 142367353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).