2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C15H23ClF2N2 — CID 120728118

IUPAC2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1ccc(F)cc1F)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H
InChIKeyWKARAFAGQFKMGN-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.51
Rot. Bonds4

About 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728118) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728118
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC Name2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1ccc(F)cc1F)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H
InChIKeyWKARAFAGQFKMGN-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one
CID 95590517
3-[1-(2,4-difluorophenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491116
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
2-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propane-1,3-diol
CID 95550680

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728118) is 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is CC(c1ccc(F)cc1F)N1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is WKARAFAGQFKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H.
What are the key properties of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).