4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine

C10H21FN2 — CID 167076354

IUPAC4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)C(CF)C1
InChIInChI=1S/C10H21FN2/c1-4-12-5-6-13(9(2)3)10(7-11)8-12/h9-10H,4-8H2,1-3H3
InChIKeyAUHKSLNXICDTLY-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds3

About 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine

4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine (PubChem CID 167076354) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
PubChem CID167076354
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)C(CF)C1
InChIInChI=1S/C10H21FN2/c1-4-12-5-6-13(9(2)3)10(7-11)8-12/h9-10H,4-8H2,1-3H3
InChIKeyAUHKSLNXICDTLY-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
CID 168838550
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
CID 176559353
4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
CID 167076261
(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
CID 140925009
(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
CID 95727734
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
[(2R)-4-ethyl-1-methylpiperazin-2-yl]methanol
CID 147759267
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine?
The IUPAC name of 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine (CID 167076354) is 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine?
The canonical SMILES for 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine is CCN1CCN(C(C)C)C(CF)C1.
What is the InChIKey of 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine?
The InChIKey is AUHKSLNXICDTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-4-12-5-6-13(9(2)3)10(7-11)8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine?
4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 167076354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).