1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine

C15H23FN2 — CID 81113703

IUPAC1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1CN(CCCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C15H23FN2/c1-13-11-18(10-6-9-16)15(2,12-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyVYDHWRGTNWFGMS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine

1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine (PubChem CID 81113703) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
PubChem CID81113703
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1CN(CCCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C15H23FN2/c1-13-11-18(10-6-9-16)15(2,12-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyVYDHWRGTNWFGMS-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine (CID 81113703) is 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine is CC1CN(CCCF)C(C)(c2ccccc2)CN1.
What is the InChIKey of 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is VYDHWRGTNWFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-13-11-18(10-6-9-16)15(2,12-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine?
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 81113703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).