1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C20H21ClFN3S — CID 120767855

IUPAC1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Fc1ccccc1-c1ccc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C20H20FN3S.ClH/c21-18-6-2-1-5-17(18)20-8-7-16(25-20)14-24-11-10-23-13-19(24)15-4-3-9-22-12-15;/h1-9,12,19,23H,10-11,13-14H2;1H
InChIKeyOZVVYDZARUKYQP-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.52
Rot. Bonds4

About 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120767855) has the molecular formula C20H21ClFN3S and a molecular weight of 389.93 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120767855
Molecular FormulaC20H21ClFN3S
Molecular Weight389.93 g/mol
Exact Mass389.11
IUPAC Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Fc1ccccc1-c1ccc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C20H20FN3S.ClH/c21-18-6-2-1-5-17(18)20-8-7-16(25-20)14-24-11-10-23-13-19(24)15-4-3-9-22-12-15;/h1-9,12,19,23H,10-11,13-14H2;1H
InChIKeyOZVVYDZARUKYQP-UHFFFAOYSA-N
XLogP4.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-tert-butyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120768352
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120767763
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120767855) is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cl.Fc1ccccc1-c1ccc(CN2CCNCC2c2cccnc2)s1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is OZVVYDZARUKYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S.ClH/c21-18-6-2-1-5-17(18)20-8-7-16(25-20)14-24-11-10-23-13-19(24)15-4-3-9-22-12-15;/h1-9,12,19,23H,10-11,13-14H2;1H.
What are the key properties of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120767855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).