N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine

C17H29F2N3 — CID 174896777

IUPACN,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
SMILESCCN(CC)CC.Fc1ccc(CN2CCNCC2)c(F)c1
InChIInChI=1S/C11H14F2N2.C6H15N/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;1-4-7(5-2)6-3/h1-2,7,14H,3-6,8H2;4-6H2,1-3H3
InChIKeyZDRLVOFONLBELD-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.72
Rot. Bonds5

About N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine

N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine (PubChem CID 174896777) has the molecular formula C17H29F2N3 and a molecular weight of 313.44 g/mol. Its IUPAC name is N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound NameN,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
PubChem CID174896777
Molecular FormulaC17H29F2N3
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC NameN,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
SMILESCCN(CC)CC.Fc1ccc(CN2CCNCC2)c(F)c1
InChIInChI=1S/C11H14F2N2.C6H15N/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;1-4-7(5-2)6-3/h1-2,7,14H,3-6,8H2;4-6H2,1-3H3
InChIKeyZDRLVOFONLBELD-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328025
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
CID 118310188
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine?
The IUPAC name of N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine (CID 174896777) is N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine is CCN(CC)CC.Fc1ccc(CN2CCNCC2)c(F)c1.
What is the InChIKey of N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine?
The InChIKey is ZDRLVOFONLBELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2.C6H15N/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;1-4-7(5-2)6-3/h1-2,7,14H,3-6,8H2;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine?
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine has a molecular weight of 313.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 174896777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).