[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone

C19H21FN2O — CID 23587358

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c20-18-6-4-16(5-7-18)19(23)22-10-8-15(9-11-22)17-3-1-2-14(12-17)13-21/h1-7,12,15H,8-11,13,21H2
InChIKeyZWNBPHLHQZWUPU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.30
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 23587358) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID23587358
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c20-18-6-4-16(5-7-18)19(23)22-10-8-15(9-11-22)17-3-1-2-14(12-17)13-21/h1-7,12,15H,8-11,13,21H2
InChIKeyZWNBPHLHQZWUPU-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone 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

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
CID 22266044
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]naphthalen-1-yl]boronic acid
CID 90206946
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
CID 90213570
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-2-yl]boronic acid
CID 90207008
1-[4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-3-(2-oxocyclobutyl)urea
CID 67115356
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone
CID 69029671
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 23587358) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone is NCc1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZWNBPHLHQZWUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-18-6-4-16(5-7-18)19(23)22-10-8-15(9-11-22)17-3-1-2-14(12-17)13-21/h1-7,12,15H,8-11,13,21H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 312.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 23587358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).