N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

C20H30ClFN2 — CID 148803775

IUPACN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2CCC(c3cc(F)ccc3Cl)CC2)CC1
InChIInChI=1S/C20H30ClFN2/c1-24-12-9-18(10-13-24)23-11-8-15-2-4-16(5-3-15)19-14-17(22)6-7-20(19)21/h6-7,14-16,18,23H,2-5,8-13H2,1H3
InChIKeyOONYRBRYEIWTKM-UHFFFAOYSA-N
MW352.93 g/mol
LogP4.83
Rot. Bonds5

About N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (PubChem CID 148803775) has the molecular formula C20H30ClFN2 and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
PubChem CID148803775
Molecular FormulaC20H30ClFN2
Molecular Weight352.93 g/mol
Exact Mass352.21
IUPAC NameN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2CCC(c3cc(F)ccc3Cl)CC2)CC1
InChIInChI=1S/C20H30ClFN2/c1-24-12-9-18(10-13-24)23-11-8-15-2-4-16(5-3-15)19-14-17(22)6-7-20(19)21/h6-7,14-16,18,23H,2-5,8-13H2,1H3
InChIKeyOONYRBRYEIWTKM-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-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-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750
(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754
N-[2-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 2846508
N-(3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl)-1-methylpiperidin-4-amine
CID 17584926
N-{[4-(4-chlorophenyl)phenyl]methyl}-1-(propan-2-yl)piperidin-4-amine
CID 23614405
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (CID 148803775) is N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine is CN1CCC(NCCC2CCC(c3cc(F)ccc3Cl)CC2)CC1.
What is the InChIKey of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The InChIKey is OONYRBRYEIWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClFN2/c1-24-12-9-18(10-13-24)23-11-8-15-2-4-16(5-3-15)19-14-17(22)6-7-20(19)21/h6-7,14-16,18,23H,2-5,8-13H2,1H3.
What are the key properties of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine has a molecular weight of 352.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 148803775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).