1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine

C17H18ClFN2 — CID 102862405

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
SMILESFc1c(Cl)cccc1CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H18ClFN2/c18-15-8-4-7-14(17(15)19)11-21-10-9-20-16(12-21)13-5-2-1-3-6-13/h1-8,16,20H,9-12H2
InChIKeyCKXGUAIAXHZCQR-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.63
Rot. Bonds3

About 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine

1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine (PubChem CID 102862405) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
PubChem CID102862405
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
SMILESFc1c(Cl)cccc1CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H18ClFN2/c18-15-8-4-7-14(17(15)19)11-21-10-9-20-16(12-21)13-5-2-1-3-6-13/h1-8,16,20H,9-12H2
InChIKeyCKXGUAIAXHZCQR-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
CID 64832271
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 114186803
3-(bromomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859873
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
1-chloro-3-phenylpiperazine
CID 18428014
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
(4aS,7aS)-6-[(3-chloro-2-fluorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887157
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine (CID 102862405) is 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine is Fc1c(Cl)cccc1CN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine?
The InChIKey is CKXGUAIAXHZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-15-8-4-7-14(17(15)19)11-21-10-9-20-16(12-21)13-5-2-1-3-6-13/h1-8,16,20H,9-12H2.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine has a molecular weight of 304.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 102862405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).