(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine

C16H24ClFN2 — CID 95727734

IUPAC(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCC[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCN1C(C)C
InChIInChI=1S/C16H24ClFN2/c1-4-16-11-19(5-6-20(16)12(2)3)10-13-7-14(17)9-15(18)8-13/h7-9,12,16H,4-6,10-11H2,1-3H3/t16-/m1/s1
InChIKeyZIBFKRMCSCHCRY-MRXNPFEDSA-N
MW298.83 g/mol
LogP3.78
Rot. Bonds4

About (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine

(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine (PubChem CID 95727734) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
PubChem CID95727734
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCC[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCN1C(C)C
InChIInChI=1S/C16H24ClFN2/c1-4-16-11-19(5-6-20(16)12(2)3)10-13-7-14(17)9-15(18)8-13/h7-9,12,16H,4-6,10-11H2,1-3H3/t16-/m1/s1
InChIKeyZIBFKRMCSCHCRY-MRXNPFEDSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine (CID 95727734) is (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine is CC[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCN1C(C)C.
What is the InChIKey of (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The InChIKey is ZIBFKRMCSCHCRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-4-16-11-19(5-6-20(16)12(2)3)10-13-7-14(17)9-15(18)8-13/h7-9,12,16H,4-6,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 95727734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).