1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine

C16H17ClFN3 — CID 120909906

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESFc1c(Cl)cccc1CN1CCNCC1c1ccncc1
InChIInChI=1S/C16H17ClFN3/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12/h1-7,15,20H,8-11H2
InChIKeyNXEMOMROTUFLCT-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.02
Rot. Bonds3

About 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine

1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120909906) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
PubChem CID120909906
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESFc1c(Cl)cccc1CN1CCNCC1c1ccncc1
InChIInChI=1S/C16H17ClFN3/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12/h1-7,15,20H,8-11H2
InChIKeyNXEMOMROTUFLCT-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine (CID 120909906) is 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine is Fc1c(Cl)cccc1CN1CCNCC1c1ccncc1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is NXEMOMROTUFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12/h1-7,15,20H,8-11H2.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 305.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120909906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).