N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine

C19H24FN3O — CID 97323062

IUPACN-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3/t15-/m0/s1
InChIKeyPNNKKDKOLMUWEN-HNNXBMFYSA-N
MW329.42 g/mol
LogP3.25
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 97323062) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID97323062
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3/t15-/m0/s1
InChIKeyPNNKKDKOLMUWEN-HNNXBMFYSA-N
XLogP3.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine (CID 97323062) is N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine is C[C@@H](CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is PNNKKDKOLMUWEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 329.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 97323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).