1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine

C19H22F2N2 — CID 120834747

IUPAC1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22F2N2/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)13-23-11-1-2-18(22)12-23/h3-10,18-19H,1-2,11-13,22H2
InChIKeyXUWQSOFJRUXSPN-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.52
Rot. Bonds4

About 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine

1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine (PubChem CID 120834747) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
PubChem CID120834747
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22F2N2/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)13-23-11-1-2-18(22)12-23/h3-10,18-19H,1-2,11-13,22H2
InChIKeyXUWQSOFJRUXSPN-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909599
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
(3R)-1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidine-3-carboxylic acid
CID 54147952
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
CID 120834889
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine (CID 120834747) is 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine is NC1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine?
The InChIKey is XUWQSOFJRUXSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)13-23-11-1-2-18(22)12-23/h3-10,18-19H,1-2,11-13,22H2.
What are the key properties of 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine?
1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine has a molecular weight of 316.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 120834747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).