1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride

C14H20ClFN2 — CID 120768681

IUPAC1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2CC2CC2)c1
InChIInChI=1S/C14H19FN2.ClH/c15-13-3-1-2-12(8-13)14-9-16-6-7-17(14)10-11-4-5-11;/h1-3,8,11,14,16H,4-7,9-10H2;1H
InChIKeyYZPAGQIKZPTAEP-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.60
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride

1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride (PubChem CID 120768681) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
PubChem CID120768681
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2CC2CC2)c1
InChIInChI=1S/C14H19FN2.ClH/c15-13-3-1-2-12(8-13)14-9-16-6-7-17(14)10-11-4-5-11;/h1-3,8,11,14,16H,4-7,9-10H2;1H
InChIKeyYZPAGQIKZPTAEP-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
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2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride (CID 120768681) is 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride is Cl.Fc1cccc(C2CNCCN2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride?
The InChIKey is YZPAGQIKZPTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2.ClH/c15-13-3-1-2-12(8-13)14-9-16-6-7-17(14)10-11-4-5-11;/h1-3,8,11,14,16H,4-7,9-10H2;1H.
What are the key properties of 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride?
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120768681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).