1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine

C17H25FN2 — CID 782937

IUPAC1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H25FN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyRKQADKJEAHNBPK-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.53
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine

1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine (PubChem CID 782937) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine
PubChem CID782937
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H25FN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyRKQADKJEAHNBPK-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine (CID 782937) is 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine?
The InChIKey is RKQADKJEAHNBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2.
What are the key properties of 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine?
1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine has a molecular weight of 276.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 782937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).