2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C15H24ClFN2 — CID 120728173

IUPAC2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1cccc(F)c1)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-12(14-5-2-6-15(16)10-14)18-9-3-4-13(11-18)7-8-17;/h2,5-6,10,12-13H,3-4,7-9,11,17H2,1H3;1H
InChIKeyHHMFPAVGJIWOHR-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728173) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728173
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1cccc(F)c1)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-12(14-5-2-6-15(16)10-14)18-9-3-4-13(11-18)7-8-17;/h2,5-6,10,12-13H,3-4,7-9,11,17H2,1H3;1H
InChIKeyHHMFPAVGJIWOHR-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
2-[1-(3-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986500
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915680
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728173) is 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is CC(c1cccc(F)c1)N1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is HHMFPAVGJIWOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.ClH/c1-12(14-5-2-6-15(16)10-14)18-9-3-4-13(11-18)7-8-17;/h2,5-6,10,12-13H,3-4,7-9,11,17H2,1H3;1H.
What are the key properties of 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).