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

C17H27FN2 — CID 120842603

IUPACN-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-19-12-15-8-10-20(11-9-15)13-14(2)16-4-6-17(18)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyFLHCFMLYDBYFGD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.25
Rot. Bonds6

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

N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 120842603) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
PubChem CID120842603
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-19-12-15-8-10-20(11-9-15)13-14(2)16-4-6-17(18)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyFLHCFMLYDBYFGD-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842641
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
CID 99857032
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine (CID 120842603) is N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CC(C)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is FLHCFMLYDBYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-19-12-15-8-10-20(11-9-15)13-14(2)16-4-6-17(18)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 120842603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).