N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine

C16H24ClFN2 — CID 43206713

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2/c1-3-8-20-9-6-14(7-10-20)19-12(2)13-4-5-16(18)15(17)11-13/h4-5,11-12,14,19H,3,6-10H2,1-2H3
InChIKeyKZFDGVCDVGMGAS-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.00
Rot. Bonds5

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine

N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 43206713) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID43206713
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2/c1-3-8-20-9-6-14(7-10-20)19-12(2)13-4-5-16(18)15(17)11-13/h4-5,11-12,14,19H,3,6-10H2,1-2H3
InChIKeyKZFDGVCDVGMGAS-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-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-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine (CID 43206713) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(C)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is KZFDGVCDVGMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-3-8-20-9-6-14(7-10-20)19-12(2)13-4-5-16(18)15(17)11-13/h4-5,11-12,14,19H,3,6-10H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 298.83 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43206713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).