N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine

C20H25FN2 — CID 83993582

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCc2ccccc2)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2/c1-16-11-20(22-12-17-5-3-2-4-6-17)15-23(13-16)14-18-7-9-19(21)10-8-18/h2-10,16,20,22H,11-15H2,1H3
InChIKeyTWMAIDYAKTXNBA-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.83
Rot. Bonds5

About N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine

N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 83993582) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID83993582
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCc2ccccc2)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2/c1-16-11-20(22-12-17-5-3-2-4-6-17)15-23(13-16)14-18-7-9-19(21)10-8-18/h2-10,16,20,22H,11-15H2,1H3
InChIKeyTWMAIDYAKTXNBA-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-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

N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
CID 83990912
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
N-benzyl-1-butyl-5-methylpiperidin-3-amine
CID 112541370
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
CID 99639603
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62424303

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine (CID 83993582) is N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine is CC1CC(NCc2ccccc2)CN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is TWMAIDYAKTXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-16-11-20(22-12-17-5-3-2-4-6-17)15-23(13-16)14-18-7-9-19(21)10-8-18/h2-10,16,20,22H,11-15H2,1H3.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 312.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 83993582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).