1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride

C15H20ClFN4 — CID 120834889

IUPAC1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4.ClH/c16-12-3-5-14(6-4-12)20-15(7-8-18-20)11-19-9-1-2-13(17)10-19;/h3-8,13H,1-2,9-11,17H2;1H
InChIKeyNLFQJJVZPUOUSB-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.36
Rot. Bonds3

About 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride

1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 120834889) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
PubChem CID120834889
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4.ClH/c16-12-3-5-14(6-4-12)20-15(7-8-18-20)11-19-9-1-2-13(17)10-19;/h3-8,13H,1-2,9-11,17H2;1H
InChIKeyNLFQJJVZPUOUSB-UHFFFAOYSA-N
XLogP2.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
3-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845762
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
[4-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]methanamine
CID 120844523
N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842641
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
CID 120834747
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride (CID 120834889) is 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride is Cl.NC1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is NLFQJJVZPUOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4.ClH/c16-12-3-5-14(6-4-12)20-15(7-8-18-20)11-19-9-1-2-13(17)10-19;/h3-8,13H,1-2,9-11,17H2;1H.
What are the key properties of 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride?
1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 310.80 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120834889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).