1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine

C22H21ClFN3 — CID 56672516

IUPAC1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESFc1cc(Cl)ccc1C(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClFN3/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)27-13-11-26(12-14-27)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2
InChIKeyUGROQFKCZGEDOF-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.79
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine

1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine (PubChem CID 56672516) has the molecular formula C22H21ClFN3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
PubChem CID56672516
Molecular FormulaC22H21ClFN3
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Name1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESFc1cc(Cl)ccc1C(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClFN3/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)27-13-11-26(12-14-27)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2
InChIKeyUGROQFKCZGEDOF-UHFFFAOYSA-N
XLogP4.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Rupatadine
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(-)-Chlorpheniramine
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13-Chloro-2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10315110
13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
2-(4'-Chlorobenzyl)pyridine
CID 78054
N-Methyldesloratadine
CID 31843
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
4-(4-chlorophenyl)-N-[(E)-4-pyridinylmethylidene]-1-piperazinamine
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4-(4'-Chlorobenzyl)pyridine
CID 78124

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine (CID 56672516) is 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine is Fc1cc(Cl)ccc1C(c1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The InChIKey is UGROQFKCZGEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)27-13-11-26(12-14-27)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine has a molecular weight of 381.88 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 56672516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).