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

C21H27ClF2N2 — CID 120840968

IUPAC1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C21H26F2N2.ClH/c1-15(24)18-3-2-12-25(13-18)14-21(16-4-8-19(22)9-5-16)17-6-10-20(23)11-7-17;/h4-11,15,18,21H,2-3,12-14,24H2,1H3;1H
InChIKeyFVKYSLFGYJLAMD-UHFFFAOYSA-N
MW380.91 g/mol
LogP4.58
Rot. Bonds5

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

1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120840968) has the molecular formula C21H27ClF2N2 and a molecular weight of 380.91 g/mol. Its IUPAC name is 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120840968
Molecular FormulaC21H27ClF2N2
Molecular Weight380.91 g/mol
Exact Mass380.18
IUPAC Name1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C21H26F2N2.ClH/c1-15(24)18-3-2-12-25(13-18)14-21(16-4-8-19(22)9-5-16)17-6-10-20(23)11-7-17;/h4-11,15,18,21H,2-3,12-14,24H2,1H3;1H
InChIKeyFVKYSLFGYJLAMD-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
CID 120834747
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909599
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
CID 116502167
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120840968) is 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is FVKYSLFGYJLAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2.ClH/c1-15(24)18-3-2-12-25(13-18)14-21(16-4-8-19(22)9-5-16)17-6-10-20(23)11-7-17;/h4-11,15,18,21H,2-3,12-14,24H2,1H3;1H.
What are the key properties of 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 380.91 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120840968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).