N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine

C18H25FN4 — CID 120842641

IUPACN-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4/c1-2-20-13-15-8-11-22(12-9-15)14-18-7-10-21-23(18)17-5-3-16(19)4-6-17/h3-7,10,15,20H,2,8-9,11-14H2,1H3
InChIKeyLIISLIJSSVIWEX-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.83
Rot. Bonds6

About N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 120842641) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID120842641
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC NameN-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4/c1-2-20-13-15-8-11-22(12-9-15)14-18-7-10-21-23(18)17-5-3-16(19)4-6-17/h3-7,10,15,20H,2,8-9,11-14H2,1H3
InChIKeyLIISLIJSSVIWEX-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
CID 120834889
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 120842603
3-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845762
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119646121
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
[4-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]methanamine
CID 120844523
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine (CID 120842641) is N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is LIISLIJSSVIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-2-20-13-15-8-11-22(12-9-15)14-18-7-10-21-23(18)17-5-3-16(19)4-6-17/h3-7,10,15,20H,2,8-9,11-14H2,1H3.
What are the key properties of N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 316.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 120842641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).