1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

C18H25FN4 — CID 56895511

IUPAC1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4/c1-14-18(15(2)21(3)20-14)13-23-9-7-22(8-10-23)12-16-5-4-6-17(19)11-16/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeyDOLDVSLKXXWCKZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.49
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 56895511) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
PubChem CID56895511
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4/c1-14-18(15(2)21(3)20-14)13-23-9-7-22(8-10-23)12-16-5-4-6-17(19)11-16/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeyDOLDVSLKXXWCKZ-UHFFFAOYSA-N
XLogP2.49
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 56885373
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56816044
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (CID 56895511) is 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)c(C)c1CN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is DOLDVSLKXXWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-14-18(15(2)21(3)20-14)13-23-9-7-22(8-10-23)12-16-5-4-6-17(19)11-16/h4-6,11H,7-10,12-13H2,1-3H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 316.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 56895511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).