1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine

C17H26F2N2O2 — CID 86894996

IUPAC1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCN(C(C)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H26F2N2O2/c1-3-22-13-12-20-8-10-21(11-9-20)14(2)15-4-6-16(7-5-15)23-17(18)19/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyLIPTVUYNALGWMW-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.00
Rot. Bonds8

About 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine (PubChem CID 86894996) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
PubChem CID86894996
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCN(C(C)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H26F2N2O2/c1-3-22-13-12-20-8-10-21(11-9-20)14(2)15-4-6-16(7-5-15)23-17(18)19/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyLIPTVUYNALGWMW-UHFFFAOYSA-N
XLogP3.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
CID 110901960
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
CID 22760363
N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine
CID 135179274
1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-3-ol
CID 47704692
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 86894830
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919002
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine (CID 86894996) is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine is CCOCCN1CCN(C(C)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine?
The InChIKey is LIPTVUYNALGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-3-22-13-12-20-8-10-21(11-9-20)14(2)15-4-6-16(7-5-15)23-17(18)19/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine?
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine has a molecular weight of 328.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 86894996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).