2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine

C17H28FN3O2 — CID 23540092

IUPAC2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOCCOc1ccc(N2CCN(CCN(C)C)CC2)c(F)c1
InChIInChI=1S/C17H28FN3O2/c1-19(2)6-7-20-8-10-21(11-9-20)17-5-4-15(14-16(17)18)23-13-12-22-3/h4-5,14H,6-13H2,1-3H3
InChIKeyRIMFQBHIYKXSJN-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.53
Rot. Bonds8

About 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 23540092) has the molecular formula C17H28FN3O2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID23540092
Molecular FormulaC17H28FN3O2
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC Name2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOCCOc1ccc(N2CCN(CCN(C)C)CC2)c(F)c1
InChIInChI=1S/C17H28FN3O2/c1-19(2)6-7-20-8-10-21(11-9-20)17-5-4-15(14-16(17)18)23-13-12-22-3/h4-5,14H,6-13H2,1-3H3
InChIKeyRIMFQBHIYKXSJN-UHFFFAOYSA-N
XLogP1.53
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
CID 143046254
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluoroaniline
CID 62885742
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorobenzenecarbothioamide
CID 62890022
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904933
N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide
CID 58861072
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
CID 166188604
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
CID 103590336
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
3-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-(2-methylphenyl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10302585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 23540092) is 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine is COCCOc1ccc(N2CCN(CCN(C)C)CC2)c(F)c1.
What is the InChIKey of 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is RIMFQBHIYKXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O2/c1-19(2)6-7-20-8-10-21(11-9-20)17-5-4-15(14-16(17)18)23-13-12-22-3/h4-5,14H,6-13H2,1-3H3.
What are the key properties of 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 325.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23540092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).