1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine

C16H21FN4 — CID 120834479

IUPAC1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C16H21FN4/c17-15-3-1-13(2-4-15)11-21-12-14(9-19-21)10-20-7-5-16(18)6-8-20/h1-4,9,12,16H,5-8,10-11,18H2
InChIKeyQMOGEEWJXCBXCQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.99
Rot. Bonds4

About 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine

1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 120834479) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID120834479
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C16H21FN4/c17-15-3-1-13(2-4-15)11-21-12-14(9-19-21)10-20-7-5-16(18)6-8-20/h1-4,9,12,16H,5-8,10-11,18H2
InChIKeyQMOGEEWJXCBXCQ-UHFFFAOYSA-N
XLogP1.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine (CID 120834479) is 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine is NC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is QMOGEEWJXCBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c17-15-3-1-13(2-4-15)11-21-12-14(9-19-21)10-20-7-5-16(18)6-8-20/h1-4,9,12,16H,5-8,10-11,18H2.
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine?
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 288.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120834479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).