1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine

C18H25FN2 — CID 6542710

IUPAC1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C18H25FN2/c19-17-5-2-14(3-6-17)13-20-7-9-21(10-8-20)18-12-15-1-4-16(18)11-15/h2-3,5-6,15-16,18H,1,4,7-13H2/t15-,16+,18-/m1/s1
InChIKeyRLCAIGMCELUNNC-SOLBZPMBSA-N
MW288.41 g/mol
LogP3.13
Rot. Bonds3

About 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 6542710) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID6542710
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C18H25FN2/c19-17-5-2-14(3-6-17)13-20-7-9-21(10-8-20)18-12-15-1-4-16(18)11-15/h2-3,5-6,15-16,18H,1,4,7-13H2/t15-,16+,18-/m1/s1
InChIKeyRLCAIGMCELUNNC-SOLBZPMBSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine with MolForge

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Related Compounds

1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 11897044
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176
1-(2-bicyclo[2.2.1]heptanyl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366690
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 6942192
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111701834
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 165435705

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 6542710) is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1.
What is the InChIKey of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is RLCAIGMCELUNNC-SOLBZPMBSA-N. The full InChI is InChI=1S/C18H25FN2/c19-17-5-2-14(3-6-17)13-20-7-9-21(10-8-20)18-12-15-1-4-16(18)11-15/h2-3,5-6,15-16,18H,1,4,7-13H2/t15-,16+,18-/m1/s1.
What are the key properties of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 288.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 6542710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).