(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine

C12H16ClFN2 — CID 95656909

IUPAC(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)12(14)6-10/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyDLQMXKLGPBMMKX-SECBINFHSA-N
MW242.72 g/mol
LogP2.27
Rot. Bonds2

About (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine

(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine (PubChem CID 95656909) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
PubChem CID95656909
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)12(14)6-10/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyDLQMXKLGPBMMKX-SECBINFHSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine (CID 95656909) is (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is DLQMXKLGPBMMKX-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)12(14)6-10/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine?
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 242.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 95656909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).