N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine

C20H25FN2 — CID 3665412

IUPACN-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILESCc1ccc(C)c(NC2CCN(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H25FN2/c1-15-6-7-16(2)20(12-15)22-19-8-10-23(11-9-19)14-17-4-3-5-18(21)13-17/h3-7,12-13,19,22H,8-11,14H2,1-2H3
InChIKeyNKRPEQWYKPFVNF-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.52
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine

N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 3665412) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
PubChem CID3665412
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILESCc1ccc(C)c(NC2CCN(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H25FN2/c1-15-6-7-16(2)20(12-15)22-19-8-10-23(11-9-19)14-17-4-3-5-18(21)13-17/h3-7,12-13,19,22H,8-11,14H2,1-2H3
InChIKeyNKRPEQWYKPFVNF-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-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-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
CID 21193065
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351279
5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
CID 139028966

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine (CID 3665412) is N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine is Cc1ccc(C)c(NC2CCN(Cc3cccc(F)c3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is NKRPEQWYKPFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-15-6-7-16(2)20(12-15)22-19-8-10-23(11-9-19)14-17-4-3-5-18(21)13-17/h3-7,12-13,19,22H,8-11,14H2,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 312.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 3665412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).