2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine

C16H24ClFN2 — CID 81144547

IUPAC2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2/c1-2-3-12-6-8-20(9-7-12)16(11-19)13-4-5-15(18)14(17)10-13/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3
InChIKeySLVIYOPKPJJXET-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.99
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine (PubChem CID 81144547) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
PubChem CID81144547
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2/c1-2-3-12-6-8-20(9-7-12)16(11-19)13-4-5-15(18)14(17)10-13/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3
InChIKeySLVIYOPKPJJXET-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
CID 81144771
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
2-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 81144769
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62198718
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine (CID 81144547) is 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine is CCCC1CCN(C(CN)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The InChIKey is SLVIYOPKPJJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-2-3-12-6-8-20(9-7-12)16(11-19)13-4-5-15(18)14(17)10-13/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine has a molecular weight of 298.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 81144547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).